bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine

C55H123N17O3 — CID 159991968

IUPACbis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine
SMILESC1CC2(CCN1)CNC2.C1CC2(CCN1)CNC2.C1CNCCN1.C1COCCN1.CC1CNCCO1.CCN1CCNCC1.CN1CCNCC1.C[C@@H]1CNC[C@H](C)N1.C[C@@H]1CNC[C@H](C)O1.C[C@H]1CNCCN1
InChIInChI=1S/2C7H14N2.2C6H14N2.C6H13NO.2C5H12N2.C5H11NO.C4H10N2.C4H9NO/c2*1-3-8-4-2-7(1)5-9-6-7;1-5-3-7-4-6(2)8-5;1-2-8-5-3-7-4-6-8;1-5-3-7-4-6(2)8-5;1-7-4-2-6-3-5-7;2*1-5-4-6-2-3-7-5;1-2-6-4-3-5-1;1-3-6-4-2-5-1/h2*8-9H,1-6H2;5-8H,3-4H2,1-2H3;7H,2-6H2,1H3;5-7H,3-4H2,1-2H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;5-6H,2-4H2,1H3;5-6H,1-4H2;5H,1-4H2/t;;5-,6+;;5-,6+;;5-;;;/m......0.../s1
InChIKeyOHBGQXPEKOHUDS-OMTOHVFWSA-N
MW1070.70 g/mol
LogP-1.96
Rot. Bonds1

About bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine

bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine (PubChem CID 159991968) has the molecular formula C55H123N17O3 and a molecular weight of 1070.70 g/mol. Its IUPAC name is bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine.

Molecular Properties

Compound Namebis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine
PubChem CID159991968
Molecular FormulaC55H123N17O3
Molecular Weight1070.70 g/mol
Exact Mass1070.00
IUPAC Namebis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine
SMILESC1CC2(CCN1)CNC2.C1CC2(CCN1)CNC2.C1CNCCN1.C1COCCN1.CC1CNCCO1.CCN1CCNCC1.CN1CCNCC1.C[C@@H]1CNC[C@H](C)N1.C[C@@H]1CNC[C@H](C)O1.C[C@H]1CNCCN1
InChIInChI=1S/2C7H14N2.2C6H14N2.C6H13NO.2C5H12N2.C5H11NO.C4H10N2.C4H9NO/c2*1-3-8-4-2-7(1)5-9-6-7;1-5-3-7-4-6(2)8-5;1-2-8-5-3-7-4-6-8;1-5-3-7-4-6(2)8-5;1-7-4-2-6-3-5-7;2*1-5-4-6-2-3-7-5;1-2-6-4-3-5-1;1-3-6-4-2-5-1/h2*8-9H,1-6H2;5-8H,3-4H2,1-2H3;7H,2-6H2,1H3;5-7H,3-4H2,1-2H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;5-6H,2-4H2,1H3;5-6H,1-4H2;5H,1-4H2/t;;5-,6+;;5-,6+;;5-;;;/m......0.../s1
InChIKeyOHBGQXPEKOHUDS-OMTOHVFWSA-N
XLogP-1.96
TPSA214.62 Ų
H-Bond Donors15
H-Bond Acceptors20
Rotatable Bonds1
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001070.70
LogP ≤ 5-1.96
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1020

Analyze bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine with MolForge

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Related Compounds

N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium
CID 155702607
2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;bis(2,7-diazaspiro[3.5]nonane);2,7-diazaspiro[3.4]octane;1,4-diazepane;(2S,6R)-2,6-dimethylmorpholine;2,2-dimethylpiperazine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine;piperidine
CID 157125101
N,N-diethyl-4,4-dimethylpentan-1-amine;N,N-diethyl-2,3,3-trimethylbutan-1-amine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperazine;bis(1-(4,4-dimethylpentyl)piperidine);N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;N,N,4,4-tetramethylpentan-2-amine;4-(2,3,3-trimethylbutyl)morpholine;1-(2,3,3-trimethylbutyl)piperidine
CID 157784848
N,N-dimethyl-2-propan-2-yloxyethanamine;2,2-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-4-propan-2-ylmorpholine;N-methyl-N-propan-2-yloxetan-3-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;2,2,4-trimethyl-1-propan-2-ylpiperazine
CID 157953515
5,5-Dimethyl-2-(2-methylpropyl)morpholine;1-(2-ethoxyethyl)-3-propan-2-ylazetidine;bis(1-ethyl-4-propan-2-ylpiperidine);1-(2-methoxyethyl)-3-propan-2-ylazetidine;bis(1-(2-methoxyethyl)-4-propan-2-ylpiperidine);4-(3-methylbutyl)morpholine;5-methyl-2-(2-methylpropyl)morpholine;1-methyl-4-propan-2-ylpiperidine;2-(2-methylpropyl)morpholine;3-propan-2-ylazetidine;4-propan-2-ylpiperidine;4,5,5-trimethyl-2-(2-methylpropyl)morpholine
CID 158402746
1-Methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 158539602
N,N-diethyl-4,4-dimethylpentan-1-amine;N,N-diethyl-2,3,3-trimethylbutan-1-amine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperazine;bis(1-(4,4-dimethylpentyl)piperidine);methane;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;N,N,4,4-tetramethylpentan-2-amine;4-(2,3,3-trimethylbutyl)morpholine;1-(2,3,3-trimethylbutyl)piperidine
CID 159692387
1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
CID 160321142
2,7-dimethyl-2,7-diazaspiro[3.5]nonane;3,9-dimethyl-3,9-diazaspiro[5.5]undecane;N,N-dimethyl-2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)ethanamine;1,4-dimethylpiperazine;2-ethyl-7-methyl-2,7-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane;2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)ethanol;3-methyl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine;1-methylpiperidine;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;N,N,1-trimethylpiperidin-4-amine
CID 160332259
9-ethyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-ethyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;N-methyl-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine;1-methyl-4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
CID 160368306
3-methoxy-1-propan-2-ylazetidine;(2R)-2-methyl-4-propan-2-ylmorpholine;2-methyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 160793476
4-(azetidin-1-yl)-1-propan-2-ylpiperidine;N,N-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine;3,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-1-propan-2-ylpiperidin-3-amine;bis(N,N-dimethyl-1-propan-2-ylpiperidin-4-amine);N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;4-ethyl-1-propan-2-ylpiperidine;methane;bis(3-methyl-1-propan-2-ylpiperidine);7-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-propan-2-ylpiperidine;2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanol;2-[(1-propan-2-ylpiperidin-4-yl)amino]propan-1-ol;1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 160817461

Frequently Asked Questions

What is the IUPAC name of bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine?
The IUPAC name of bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine (CID 159991968) is bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine.
What is the SMILES notation for bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine?
The canonical SMILES for bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine is C1CC2(CCN1)CNC2.C1CC2(CCN1)CNC2.C1CNCCN1.C1COCCN1.CC1CNCCO1.CCN1CCNCC1.CN1CCNCC1.C[C@@H]1CNC[C@H](C)N1.C[C@@H]1CNC[C@H](C)O1.C[C@H]1CNCCN1.
What is the InChIKey of bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine?
The InChIKey is OHBGQXPEKOHUDS-OMTOHVFWSA-N. The full InChI is InChI=1S/2C7H14N2.2C6H14N2.C6H13NO.2C5H12N2.C5H11NO.C4H10N2.C4H9NO/c2*1-3-8-4-2-7(1)5-9-6-7;1-5-3-7-4-6(2)8-5;1-2-8-5-3-7-4-6-8;1-5-3-7-4-6(2)8-5;1-7-4-2-6-3-5-7;2*1-5-4-6-2-3-7-5;1-2-6-4-3-5-1;1-3-6-4-2-5-1/h2*8-9H,1-6H2;5-8H,3-4H2,1-2H3;7H,2-6H2,1H3;5-7H,3-4H2,1-2H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;5-6H,2-4H2,1H3;5-6H,1-4H2;5H,1-4H2/t;;5-,6+;;5-,6+;;5-;;;/m......0.../s1.
What are the key properties of bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine?
bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine has a molecular weight of 1070.70 g/mol, XLogP of -1.96, 1 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,7-diazaspiro[3.5]nonane);(2R,6S)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine is sourced from PubChem (CID 159991968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).