[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol

C16H32N2O — CID 81419818

IUPAC[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCN2CCCCCC2)CCCCC1
InChIInChI=1S/C16H32N2O/c19-15-16(8-4-3-5-9-16)14-17-10-13-18-11-6-1-2-7-12-18/h17,19H,1-15H2
InChIKeyIJJNTRWCXQFXTF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds6

About [1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 81419818) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID81419818
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCN2CCCCCC2)CCCCC1
InChIInChI=1S/C16H32N2O/c19-15-16(8-4-3-5-9-16)14-17-10-13-18-11-6-1-2-7-12-18/h17,19H,1-15H2
InChIKeyIJJNTRWCXQFXTF-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 103966435
[1-[[(2-methyl-3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]methanol
CID 81419423
[1-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892
[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373
[1-[(but-3-enylamino)methyl]cyclohexyl]methanol
CID 103966311
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419235
3-(2-piperidin-1-ylethylamino)propan-1-ol
CID 53211307
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226563
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol (CID 81419818) is [1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol is OCC1(CNCCN2CCCCCC2)CCCCC1.
What is the InChIKey of [1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is IJJNTRWCXQFXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c19-15-16(8-4-3-5-9-16)14-17-10-13-18-11-6-1-2-7-12-18/h17,19H,1-15H2.
What are the key properties of [1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).