1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone

C16H30N2O2 — CID 65120584

IUPAC1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone
SMILESCC1CCCC(O)(CNCC(=O)N2CCCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-14-7-6-8-16(20,11-14)13-17-12-15(19)18-9-4-2-3-5-10-18/h14,17,20H,2-13H2,1H3
InChIKeyAYNJQLNUWCIVJA-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.92
Rot. Bonds4

About 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone

1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone (PubChem CID 65120584) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone
PubChem CID65120584
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone
SMILESCC1CCCC(O)(CNCC(=O)N2CCCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-14-7-6-8-16(20,11-14)13-17-12-15(19)18-9-4-2-3-5-10-18/h14,17,20H,2-13H2,1H3
InChIKeyAYNJQLNUWCIVJA-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
CID 96936567
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 65120934
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
N-cyclopropyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-methylacetamide
CID 65120474
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79039779
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
CID 65120579
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79210284
1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65117297
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone (CID 65120584) is 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone is CC1CCCC(O)(CNCC(=O)N2CCCCCC2)C1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone?
The InChIKey is AYNJQLNUWCIVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-14-7-6-8-16(20,11-14)13-17-12-15(19)18-9-4-2-3-5-10-18/h14,17,20H,2-13H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone?
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone has a molecular weight of 282.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone is sourced from PubChem (CID 65120584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).