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

C113H242N18O8 — CID 157137617

IUPACbis(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
SMILESCC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)NC1CCNC1.CC(C)(C)NC1CCNC1.CC(C)(C)NCC1CCCC1.CC(C)(C)NCC1CCCC1.CC(C)(C)NCCN1CCCC1.CC(C)(C)NCCN1CCOCC1.CC(C)(C)OC1CCNCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCNCC1.CC(C)(C)OCCN1CCOCC1
InChIInChI=1S/2C10H22N2O.C10H22N2.C10H21NO2.C10H21NO.2C10H21N.C9H18N2O.2C9H19NO.2C8H18N2/c1-10(2,3)13-9-8-12-6-4-11-5-7-12;1-10(2,3)11-4-5-12-6-8-13-9-7-12;1-10(2,3)11-6-9-12-7-4-5-8-12;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-10(2,3)12-9-8-11-6-4-5-7-11;2*1-10(2,3)11-8-9-6-4-5-7-9;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/h2*11H,4-9H2,1-3H3;11H,4-9H2,1-3H3;4-9H2,1-3H3;4-9H2,1-3H3;2*9,11H,4-8H2,1-3H3;10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*7,9-10H,4-6H2,1-3H3
InChIKeyAJURBVCYHFKCAU-UHFFFAOYSA-N
MW1981.30 g/mol
LogP15.90
Rot. Bonds23

About 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

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 (PubChem CID 157137617) has the molecular formula C113H242N18O8 and a molecular weight of 1981.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID157137617
Molecular FormulaC113H242N18O8
Molecular Weight1981.30 g/mol
Exact Mass1979.91
IUPAC Namebis(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
SMILESCC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)NC1CCNC1.CC(C)(C)NC1CCNC1.CC(C)(C)NCC1CCCC1.CC(C)(C)NCC1CCCC1.CC(C)(C)NCCN1CCCC1.CC(C)(C)NCCN1CCOCC1.CC(C)(C)OC1CCNCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCNCC1.CC(C)(C)OCCN1CCOCC1
InChIInChI=1S/2C10H22N2O.C10H22N2.C10H21NO2.C10H21NO.2C10H21N.C9H18N2O.2C9H19NO.2C8H18N2/c1-10(2,3)13-9-8-12-6-4-11-5-7-12;1-10(2,3)11-4-5-12-6-8-13-9-7-12;1-10(2,3)11-6-9-12-7-4-5-8-12;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-10(2,3)12-9-8-11-6-4-5-7-11;2*1-10(2,3)11-8-9-6-4-5-7-9;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/h2*11H,4-9H2,1-3H3;11H,4-9H2,1-3H3;4-9H2,1-3H3;4-9H2,1-3H3;2*9,11H,4-8H2,1-3H3;10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*7,9-10H,4-6H2,1-3H3
InChIKeyAJURBVCYHFKCAU-UHFFFAOYSA-N
XLogP15.90
TPSA236.69 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms139
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.30
LogP ≤ 515.90
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)NC1CCNC1.CC(C)(C)NC1CCNC1.CC(C)(C)NCC1CCCC1.CC(C)(C)NCC1CCCC1.CC(C)(C)NCCN1CCCC1.CC(C)(C)NCCN1CCOCC1.CC(C)(C)OC1CCNCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCNCC1.CC(C)(C)OCCN1CCOCC1.
What is the InChIKey of 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?
The InChIKey is AJURBVCYHFKCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22N2O.C10H22N2.C10H21NO2.C10H21NO.2C10H21N.C9H18N2O.2C9H19NO.2C8H18N2/c1-10(2,3)13-9-8-12-6-4-11-5-7-12;1-10(2,3)11-4-5-12-6-8-13-9-7-12;1-10(2,3)11-6-9-12-7-4-5-8-12;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-10(2,3)12-9-8-11-6-4-5-7-11;2*1-10(2,3)11-8-9-6-4-5-7-9;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/h2*11H,4-9H2,1-3H3;11H,4-9H2,1-3H3;4-9H2,1-3H3;4-9H2,1-3H3;2*9,11H,4-8H2,1-3H3;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);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?
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 has a molecular weight of 1981.30 g/mol, XLogP of 15.90, 23 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157137617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).