(3R)-azepan-3-amine

C6H14N2 — CID 7145034

IUPAC(3R)-azepan-3-amine
SMILESN[C@@H]1CCCCNC1
InChIInChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2/t6-/m1/s1
InChIKeyWJUBYASTGWKFHK-ZCFIWIBFSA-N
MW114.19 g/mol
LogP0.09
Rot. Bonds

About (3R)-azepan-3-amine

(3R)-azepan-3-amine (PubChem CID 7145034) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (3R)-azepan-3-amine.

Molecular Properties

Compound Name(3R)-azepan-3-amine
PubChem CID7145034
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(3R)-azepan-3-amine
SMILESN[C@@H]1CCCCNC1
InChIInChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2/t6-/m1/s1
InChIKeyWJUBYASTGWKFHK-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-azepan-3-amine?
The IUPAC name of (3R)-azepan-3-amine (CID 7145034) is (3R)-azepan-3-amine.
What is the SMILES notation for (3R)-azepan-3-amine?
The canonical SMILES for (3R)-azepan-3-amine is N[C@@H]1CCCCNC1.
What is the InChIKey of (3R)-azepan-3-amine?
The InChIKey is WJUBYASTGWKFHK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2/t6-/m1/s1.
What are the key properties of (3R)-azepan-3-amine?
(3R)-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 (3R)-azepan-3-amine is sourced from PubChem (CID 7145034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).