4-(azepan-1-yl)butan-2-amine

C10H22N2 — CID 6484166

IUPAC4-(azepan-1-yl)butan-2-amine
SMILESCC(N)CCN1CCCCCC1
InChIInChI=1S/C10H22N2/c1-10(11)6-9-12-7-4-2-3-5-8-12/h10H,2-9,11H2,1H3
InChIKeyYHGWYQDNQLHADE-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.60
Rot. Bonds3

About 4-(azepan-1-yl)butan-2-amine

4-(azepan-1-yl)butan-2-amine (PubChem CID 6484166) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-(azepan-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)butan-2-amine
PubChem CID6484166
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-(azepan-1-yl)butan-2-amine
SMILESCC(N)CCN1CCCCCC1
InChIInChI=1S/C10H22N2/c1-10(11)6-9-12-7-4-2-3-5-8-12/h10H,2-9,11H2,1H3
InChIKeyYHGWYQDNQLHADE-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Novoldiamine
CID 78953
1-Piperidin-4-yl-azepane hydrochloride
CID 24747019
3-(Azepan-1-yl)propan-1-amine
CID 2764395
N',N'-di(propan-2-yl)pentane-1,5-diamine
CID 3790585
N-(3-aminopropyl)-N-methylcyclohexanamine
CID 7138385
5,8-Dimethylspermidine
CID 44154131
1-(Piperidin-4-yl)azepane
CID 795725
1-(Azepan-1-yl)propan-2-amine
CID 16643484
(2-(Azepan-1-yl)ethyl)(propan-2-yl)amine
CID 23518735
4-(Pyrrolidin-1-yl)azepane
CID 53621929
N,N-dimethylazepan-3-amine
CID 56686919
N,N-dimethylazepan-4-amine
CID 56698912

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)butan-2-amine?
The IUPAC name of 4-(azepan-1-yl)butan-2-amine (CID 6484166) is 4-(azepan-1-yl)butan-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)butan-2-amine?
The canonical SMILES for 4-(azepan-1-yl)butan-2-amine is CC(N)CCN1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)butan-2-amine?
The InChIKey is YHGWYQDNQLHADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(11)6-9-12-7-4-2-3-5-8-12/h10H,2-9,11H2,1H3.
What are the key properties of 4-(azepan-1-yl)butan-2-amine?
4-(azepan-1-yl)butan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)butan-2-amine is sourced from PubChem (CID 6484166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).