(4S)-4,6-dimethylazepin-4-amine

C8H12N2 — CID 126635623

IUPAC(4S)-4,6-dimethylazepin-4-amine
SMILESCC1=C[C@](C)(N)C=CN=C1
InChIInChI=1S/C8H12N2/c1-7-5-8(2,9)3-4-10-6-7/h3-6H,9H2,1-2H3/t8-/m1/s1
InChIKeyGHXWMAPVMDVFLG-MRVPVSSYSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds

About (4S)-4,6-dimethylazepin-4-amine

(4S)-4,6-dimethylazepin-4-amine (PubChem CID 126635623) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (4S)-4,6-dimethylazepin-4-amine.

Molecular Properties

Compound Name(4S)-4,6-dimethylazepin-4-amine
PubChem CID126635623
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(4S)-4,6-dimethylazepin-4-amine
SMILESCC1=C[C@](C)(N)C=CN=C1
InChIInChI=1S/C8H12N2/c1-7-5-8(2,9)3-4-10-6-7/h3-6H,9H2,1-2H3/t8-/m1/s1
InChIKeyGHXWMAPVMDVFLG-MRVPVSSYSA-N
XLogP1.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-dimethylazepin-4-amine?
The IUPAC name of (4S)-4,6-dimethylazepin-4-amine (CID 126635623) is (4S)-4,6-dimethylazepin-4-amine.
What is the SMILES notation for (4S)-4,6-dimethylazepin-4-amine?
The canonical SMILES for (4S)-4,6-dimethylazepin-4-amine is CC1=C[C@](C)(N)C=CN=C1.
What is the InChIKey of (4S)-4,6-dimethylazepin-4-amine?
The InChIKey is GHXWMAPVMDVFLG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-5-8(2,9)3-4-10-6-7/h3-6H,9H2,1-2H3/t8-/m1/s1.
What are the key properties of (4S)-4,6-dimethylazepin-4-amine?
(4S)-4,6-dimethylazepin-4-amine has a molecular weight of 136.20 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-dimethylazepin-4-amine is sourced from PubChem (CID 126635623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).