azepan-3-amine

C6H14N2 — CID 2756445

IUPACazepan-3-amine
SMILESNC1CCCCNC1
InChIInChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2
InChIKeyWJUBYASTGWKFHK-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.09
Rot. Bonds

About azepan-3-amine

azepan-3-amine (PubChem CID 2756445) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is azepan-3-amine.

Molecular Properties

Compound Nameazepan-3-amine
PubChem CID2756445
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Nameazepan-3-amine
SMILESNC1CCCCNC1
InChIInChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2
InChIKeyWJUBYASTGWKFHK-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
1,4-Diazepan-6-amine
CID 34178635
2-Methylazepane
CID 238104
N-(3-Azepanyl)-N-methylamine
CID 2756577
5,7-Dimethyl-1,4-diazepane
CID 6396094
1-(Azepan-1-yl)propan-2-amine
CID 16643484
(2-(Azepan-1-yl)ethyl)(propan-2-yl)amine
CID 23518735
N,N-dimethylazepan-3-amine
CID 56686919
(R)-Azepan-3-amine
CID 7145034
3,8-Diazabicyclo(3.2.1)octane
CID 12430587
(3S)-N,N-dimethylazepan-3-amine
CID 10558729
Azepan-4-amine
CID 4169161

Frequently Asked Questions

What is the IUPAC name of azepan-3-amine?
The IUPAC name of azepan-3-amine (CID 2756445) is azepan-3-amine.
What is the SMILES notation for azepan-3-amine?
The canonical SMILES for azepan-3-amine is NC1CCCCNC1.
What is the InChIKey of azepan-3-amine?
The InChIKey is WJUBYASTGWKFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2.
What are the key properties of azepan-3-amine?
azepan-3-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-3-amine is sourced from PubChem (CID 2756445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).