(3S)-4-methylazepan-3-amine

C7H16N2 — CID 155145613

IUPAC(3S)-4-methylazepan-3-amine
SMILESCC1CCCNC[C@H]1N
InChIInChI=1S/C7H16N2/c1-6-3-2-4-9-5-7(6)8/h6-7,9H,2-5,8H2,1H3/t6?,7-/m1/s1
InChIKeyRSWFCOSRIDHANA-COBSHVIPSA-N
MW128.22 g/mol
LogP0.33
Rot. Bonds

About (3S)-4-methylazepan-3-amine

(3S)-4-methylazepan-3-amine (PubChem CID 155145613) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (3S)-4-methylazepan-3-amine.

Molecular Properties

Compound Name(3S)-4-methylazepan-3-amine
PubChem CID155145613
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(3S)-4-methylazepan-3-amine
SMILESCC1CCCNC[C@H]1N
InChIInChI=1S/C7H16N2/c1-6-3-2-4-9-5-7(6)8/h6-7,9H,2-5,8H2,1H3/t6?,7-/m1/s1
InChIKeyRSWFCOSRIDHANA-COBSHVIPSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methanamine;3-methylpiperidine
CID 178081150
(3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride
CID 25178690
3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
(1S)-2-methylcyclopentan-1-amine
CID 154545726
cis-(1R,2S)-2-methylcyclohexan-1-amine
CID 638182
piperidin-3-amine;hydrate
CID 90355910
ethane;(3S)-3-methylpiperidine
CID 144634573
(3S)-piperidin-3-amine;hydrate
CID 90355913
trans-(1S,2S)-2-methylcyclopentan-1-amine;hydrochloride
CID 13184369
ethane;3-methylpiperidine;hydrate
CID 142361877
ethene;2-methylcyclohexan-1-amine
CID 142086710
methanamine;piperidine-3-thiol
CID 145273838

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methylazepan-3-amine?
The IUPAC name of (3S)-4-methylazepan-3-amine (CID 155145613) is (3S)-4-methylazepan-3-amine.
What is the SMILES notation for (3S)-4-methylazepan-3-amine?
The canonical SMILES for (3S)-4-methylazepan-3-amine is CC1CCCNC[C@H]1N.
What is the InChIKey of (3S)-4-methylazepan-3-amine?
The InChIKey is RSWFCOSRIDHANA-COBSHVIPSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-3-2-4-9-5-7(6)8/h6-7,9H,2-5,8H2,1H3/t6?,7-/m1/s1.
What are the key properties of (3S)-4-methylazepan-3-amine?
(3S)-4-methylazepan-3-amine has a molecular weight of 128.22 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methylazepan-3-amine is sourced from PubChem (CID 155145613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).