(3S)-azepan-3-amine

C6H14N2 — CID 7145038

IUPAC(3S)-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-/m0/s1
InChIKeyWJUBYASTGWKFHK-LURJTMIESA-N
MW114.19 g/mol
LogP0.09
Rot. Bonds

About (3S)-azepan-3-amine

(3S)-azepan-3-amine (PubChem CID 7145038) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (3S)-azepan-3-amine.

Molecular Properties

Compound Name(3S)-azepan-3-amine
PubChem CID7145038
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(3S)-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-/m0/s1
InChIKeyWJUBYASTGWKFHK-LURJTMIESA-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

(3S)-azepan-3-amine;dihydrochloride
CID 52952863
piperidin-3-amine;hydrate
CID 90355910
(3S)-piperidin-3-amine;hydrate
CID 90355913
(4S)-azocan-4-amine;methane;hydrochloride
CID 173145550
cyclopentanamine;ethane;2-methylpropane;piperidine
CID 143306157
piperidin-4-amine;piperidine
CID 172695620
3-azabicyclo[6.6.6]icosane
CID 91578749
azepan-4-amine;dihydrochloride
CID 118989390
3-methylazepane
CID 14291801
3-ethylazonane
CID 154533924
CID 175698442
CID 175698442
azane;cyclopentanamine
CID 69254255

Frequently Asked Questions

What is the IUPAC name of (3S)-azepan-3-amine?
The IUPAC name of (3S)-azepan-3-amine (CID 7145038) is (3S)-azepan-3-amine.
What is the SMILES notation for (3S)-azepan-3-amine?
The canonical SMILES for (3S)-azepan-3-amine is N[C@H]1CCCCNC1.
What is the InChIKey of (3S)-azepan-3-amine?
The InChIKey is WJUBYASTGWKFHK-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2/t6-/m0/s1.
What are the key properties of (3S)-azepan-3-amine?
(3S)-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 (3S)-azepan-3-amine is sourced from PubChem (CID 7145038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).