azepan-4-amine

C6H14N2 — CID 4169161

IUPACazepan-4-amine
SMILESNC1CCCNCC1
InChIInChI=1S/C6H14N2/c7-6-2-1-4-8-5-3-6/h6,8H,1-5,7H2
InChIKeyZRNRPJNPCUSWGU-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.09
Rot. Bonds

About azepan-4-amine

azepan-4-amine (PubChem CID 4169161) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is azepan-4-amine.

Molecular Properties

Compound Nameazepan-4-amine
PubChem CID4169161
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Nameazepan-4-amine
SMILESNC1CCCNCC1
InChIInChI=1S/C6H14N2/c7-6-2-1-4-8-5-3-6/h6,8H,1-5,7H2
InChIKeyZRNRPJNPCUSWGU-UHFFFAOYSA-N
XLogP0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Azepane
CID 8119
2-Methylazepane
CID 238104
Azepan-3-amine
CID 2756445
N-(3-Azepanyl)-N-methylamine
CID 2756577
N,N-dimethylazepan-4-amine
CID 56698912
(R)-Azepan-3-amine
CID 7145034
1H-Azepine, hexahydro-, hydrochloride
CID 11971665
Azepane--hydrogen bromide (1/1)
CID 70590728
(S)-Azepan-3-amine
CID 7145038
(2R)-2-Methylhexahydro-1H-azepine
CID 55298852
(S)-2-Methylazepane
CID 57946212
Azepan-1-ium iodide
CID 161664118

Frequently Asked Questions

What is the IUPAC name of azepan-4-amine?
The IUPAC name of azepan-4-amine (CID 4169161) is azepan-4-amine.
What is the SMILES notation for azepan-4-amine?
The canonical SMILES for azepan-4-amine is NC1CCCNCC1.
What is the InChIKey of azepan-4-amine?
The InChIKey is ZRNRPJNPCUSWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c7-6-2-1-4-8-5-3-6/h6,8H,1-5,7H2.
What are the key properties of azepan-4-amine?
azepan-4-amine has a molecular weight of 114.19 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-4-amine is sourced from PubChem (CID 4169161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).