3-(azepan-4-ylamino)-4-methylpentan-1-ol

C12H26N2O — CID 106348666

IUPAC3-(azepan-4-ylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1CCCNCC1
InChIInChI=1S/C12H26N2O/c1-10(2)12(6-9-15)14-11-4-3-7-13-8-5-11/h10-15H,3-9H2,1-2H3
InChIKeyNZFQIBMDFIXPRM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.13
Rot. Bonds5

About 3-(azepan-4-ylamino)-4-methylpentan-1-ol

3-(azepan-4-ylamino)-4-methylpentan-1-ol (PubChem CID 106348666) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(azepan-4-ylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(azepan-4-ylamino)-4-methylpentan-1-ol
PubChem CID106348666
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(azepan-4-ylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1CCCNCC1
InChIInChI=1S/C12H26N2O/c1-10(2)12(6-9-15)14-11-4-3-7-13-8-5-11/h10-15H,3-9H2,1-2H3
InChIKeyNZFQIBMDFIXPRM-UHFFFAOYSA-N
XLogP1.13
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
CID 103894941
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115656026
(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79742166
3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115724563
4-(azepan-4-ylamino)butan-2-ol
CID 103982285
N-but-3-yn-2-ylazepan-4-amine
CID 114415499
1-(azepan-4-ylamino)propan-2-ol
CID 103980928
methyl (2S)-2-(azepan-4-ylamino)propanoate
CID 103981308
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
4-methyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
CID 103786438
trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106349423
3-[(3-methoxycyclobutyl)amino]-4-methylpentan-1-ol
CID 104871769

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-4-ylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(azepan-4-ylamino)-4-methylpentan-1-ol (CID 106348666) is 3-(azepan-4-ylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(azepan-4-ylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(azepan-4-ylamino)-4-methylpentan-1-ol is CC(C)C(CCO)NC1CCCNCC1.
What is the InChIKey of 3-(azepan-4-ylamino)-4-methylpentan-1-ol?
The InChIKey is NZFQIBMDFIXPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12(6-9-15)14-11-4-3-7-13-8-5-11/h10-15H,3-9H2,1-2H3.
What are the key properties of 3-(azepan-4-ylamino)-4-methylpentan-1-ol?
3-(azepan-4-ylamino)-4-methylpentan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-4-ylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 106348666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).