bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine

C63H135N11O6 — CID 161344762

IUPACbis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)NC1CCNC1.CC(C)(C)NC1CCNC1.CC(C)(C)OC1CCNCC1.CC(C)(C)OCCN1CCNCC1.CC(C)(C)OCCN1CCOCC1
InChIInChI=1S/C10H22N2O.C10H21NO2.C9H18N2O.2C9H19NO.2C8H18N2/c1-10(2,3)13-9-8-12-6-4-11-5-7-12;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)11-8-4-6-10-7-5-8;2*1-8(2,3)10-7-4-5-9-6-7/h11H,4-9H2,1-3H3;4-9H2,1-3H3;10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*7,9-10H,4-6H2,1-3H3
InChIKeyVNDKVHSOVYWTNN-UHFFFAOYSA-N
MW1142.84 g/mol
LogP6.70
Rot. Bonds10

About bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine

bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine (PubChem CID 161344762) has the molecular formula C63H135N11O6 and a molecular weight of 1142.84 g/mol. Its IUPAC name is bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine.

Molecular Properties

Compound Namebis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine
PubChem CID161344762
Molecular FormulaC63H135N11O6
Molecular Weight1142.84 g/mol
Exact Mass1142.06
IUPAC Namebis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)NC1CCNC1.CC(C)(C)NC1CCNC1.CC(C)(C)OC1CCNCC1.CC(C)(C)OCCN1CCNCC1.CC(C)(C)OCCN1CCOCC1
InChIInChI=1S/C10H22N2O.C10H21NO2.C9H18N2O.2C9H19NO.2C8H18N2/c1-10(2,3)13-9-8-12-6-4-11-5-7-12;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)11-8-4-6-10-7-5-8;2*1-8(2,3)10-7-4-5-9-6-7/h11H,4-9H2,1-3H3;4-9H2,1-3H3;10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*7,9-10H,4-6H2,1-3H3
InChIKeyVNDKVHSOVYWTNN-UHFFFAOYSA-N
XLogP6.70
TPSA160.39 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001142.84
LogP ≤ 56.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine with MolForge

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Launch Full Analysis

Related Compounds

bis(N-tert-butylpyrrolidin-3-amine);bis(N-(cyclopentylmethyl)-2-methylpropan-2-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;4-[(2-methylpropan-2-yl)oxy]piperidine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 157137617
(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 157377650
N,N-dimethylethanamine;ethanamine;N-ethylethanamine;N-ethyl-2-methoxy-N-methylethanamine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)ethanone;1-ethylpiperidine;N-ethylpropan-1-amine;1-ethylpyrrolidine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;2-methoxy-N,N-dimethylethanamine;3-methoxy-N,N-dimethylpropan-1-amine;4-(2-methoxyethyl)morpholine;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)-4-methylpiperazine;1-(3-methoxypropyl)piperidine;N-methylethanamine
CID 157500458
N,N-bis(2-methoxyethyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine;ethane;(3R)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine;2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]ethanone;1-methyl-4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]piperidine;1-methyl-4-[(3S)-3-methylpiperidin-1-yl]piperidine;1-methyl-4-[(3R)-3-methylpiperidin-1-yl]piperidine;2-[(3S)-3-methylpiperidin-1-yl]ethanamine;2-[(3R)-3-methylpiperidin-1-yl]ethanamine;(3S)-3-methyl-1-(2-pyrrolidin-1-ylethyl)piperidine;(3R)-3-methyl-1-(2-pyrrolidin-1-ylethyl)piperidine
CID 157906486
(2R,6S)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(3R,5S)-3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;(2S,6R)-1,2,6-trimethyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 158193401
1-cyclohexyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol
CID 158504705
N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 158596499
1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
CID 158830626
N,N-dimethylethanamine;ethanamine;N-ethyl-2-methoxy-N-methylethanamine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)ethanone;1-ethylpiperidine;1-ethylpyrrolidine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;4-(2-methoxyethyl)morpholine;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;N-methylethanamine
CID 159984583
N,N-diethylethanamine;N,N-diethyl-2-methoxyethanamine;1,4-diethylpiperazine;ethanamine;2-ethoxy-N,N-diethylethanamine;N-ethylethanamine;1-ethyl-4-(2-methoxyethyl)piperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)propan-1-one;1-ethylpiperidine;1-ethylpyrrolidine;4-(2-methoxyethyl)morpholine;1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one;1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;N,N,N',N'-tetraethylethane-1,2-diamine
CID 160091361
4-Tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one
CID 160241297
1-Tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 160524834

Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine?
The IUPAC name of bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine (CID 161344762) is bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine.
What is the SMILES notation for bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine?
The canonical SMILES for bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine is CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)NC1CCNC1.CC(C)(C)NC1CCNC1.CC(C)(C)OC1CCNCC1.CC(C)(C)OCCN1CCNCC1.CC(C)(C)OCCN1CCOCC1.
What is the InChIKey of bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine?
The InChIKey is VNDKVHSOVYWTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C10H21NO2.C9H18N2O.2C9H19NO.2C8H18N2/c1-10(2,3)13-9-8-12-6-4-11-5-7-12;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)11-8-4-6-10-7-5-8;2*1-8(2,3)10-7-4-5-9-6-7/h11H,4-9H2,1-3H3;4-9H2,1-3H3;10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*7,9-10H,4-6H2,1-3H3.
What are the key properties of bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine?
bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine has a molecular weight of 1142.84 g/mol, XLogP of 6.70, 10 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine is sourced from PubChem (CID 161344762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).