1-(azepan-4-ylamino)propan-2-ol

C9H20N2O — CID 103980928

IUPAC1-(azepan-4-ylamino)propan-2-ol
SMILESCC(O)CNC1CCCNCC1
InChIInChI=1S/C9H20N2O/c1-8(12)7-11-9-3-2-5-10-6-4-9/h8-12H,2-7H2,1H3
InChIKeyBALDTHBVNGGXRY-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.10
Rot. Bonds3

About 1-(azepan-4-ylamino)propan-2-ol

1-(azepan-4-ylamino)propan-2-ol (PubChem CID 103980928) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(azepan-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(azepan-4-ylamino)propan-2-ol
PubChem CID103980928
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(azepan-4-ylamino)propan-2-ol
SMILESCC(O)CNC1CCCNCC1
InChIInChI=1S/C9H20N2O/c1-8(12)7-11-9-3-2-5-10-6-4-9/h8-12H,2-7H2,1H3
InChIKeyBALDTHBVNGGXRY-UHFFFAOYSA-N
XLogP0.10
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-4-ylamino)butan-2-ol
CID 103982285
2-(azepan-4-ylamino)-1-cyclopropylethanol
CID 103982114
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
N-(2,2-difluoroethyl)azepan-4-amine
CID 84656479
1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine
CID 141171838
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
N-(2-methylcyclopropyl)azepan-4-amine
CID 103982013
N-[2-(azepan-4-ylamino)ethyl]acetamide
CID 103980758
N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidin-4-amine
CID 54902639
1-(azepan-4-ylamino)-2-methylbutan-2-ol
CID 103982302

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-4-ylamino)propan-2-ol?
The IUPAC name of 1-(azepan-4-ylamino)propan-2-ol (CID 103980928) is 1-(azepan-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(azepan-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(azepan-4-ylamino)propan-2-ol is CC(O)CNC1CCCNCC1.
What is the InChIKey of 1-(azepan-4-ylamino)propan-2-ol?
The InChIKey is BALDTHBVNGGXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(12)7-11-9-3-2-5-10-6-4-9/h8-12H,2-7H2,1H3.
What are the key properties of 1-(azepan-4-ylamino)propan-2-ol?
1-(azepan-4-ylamino)propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-4-ylamino)propan-2-ol is sourced from PubChem (CID 103980928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).