2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine

C17H32N2 — CID 55166027

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H32N2/c1-14-5-6-15(18-2)16(13-14)19-11-9-17(10-12-19)7-3-4-8-17/h14-16,18H,3-13H2,1-2H3
InChIKeyLYMPVQQQHPPQLK-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.42
Rot. Bonds2

About 2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine

2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine (PubChem CID 55166027) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine
PubChem CID55166027
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H32N2/c1-14-5-6-15(18-2)16(13-14)19-11-9-17(10-12-19)7-3-4-8-17/h14-16,18H,3-13H2,1-2H3
InChIKeyLYMPVQQQHPPQLK-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine (CID 55166027) is 2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)CC1N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine?
The InChIKey is LYMPVQQQHPPQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-14-5-6-15(18-2)16(13-14)19-11-9-17(10-12-19)7-3-4-8-17/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine?
2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55166027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).