3,6,7-trimethylazepin-3-amine

C9H14N2 — CID 166814252

IUPAC3,6,7-trimethylazepin-3-amine
SMILESCC1=C(C)N=CC(C)(N)C=C1
InChIInChI=1S/C9H14N2/c1-7-4-5-9(3,10)6-11-8(7)2/h4-6H,10H2,1-3H3
InChIKeyKQIWGWVONDCZDQ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds

About 3,6,7-trimethylazepin-3-amine

3,6,7-trimethylazepin-3-amine (PubChem CID 166814252) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,6,7-trimethylazepin-3-amine.

Molecular Properties

Compound Name3,6,7-trimethylazepin-3-amine
PubChem CID166814252
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,6,7-trimethylazepin-3-amine
SMILESCC1=C(C)N=CC(C)(N)C=C1
InChIInChI=1S/C9H14N2/c1-7-4-5-9(3,10)6-11-8(7)2/h4-6H,10H2,1-3H3
InChIKeyKQIWGWVONDCZDQ-UHFFFAOYSA-N
XLogP1.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyridin-3-amine
CID 87171102
7-[(1Z)-buta-1,3-dienyl]-6-methyl-3H-azepine
CID 88243648
3-Methylazepin-3-amine
CID 123242780
5-[[(3E,5Z)-4-amino-5-methylhepta-3,5-dienylidene]amino]cyclohepta-1,4,6-trien-1-amine
CID 126495814
2-Methanimidoyl-5,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 126608140
(3Z,5E)-4-methanimidoylhepta-1,3,5-trien-3-amine
CID 126633066
(4S)-4,6-dimethylazepin-4-amine
CID 126635623
(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine
CID 130225091
3,6-Dimethylazepin-3-amine
CID 132038084
6-Methylpyrido[2,3-c]azepin-6-amine
CID 132066218
4,6-Dimethylazepin-4-amine
CID 132150692

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethylazepin-3-amine?
The IUPAC name of 3,6,7-trimethylazepin-3-amine (CID 166814252) is 3,6,7-trimethylazepin-3-amine.
What is the SMILES notation for 3,6,7-trimethylazepin-3-amine?
The canonical SMILES for 3,6,7-trimethylazepin-3-amine is CC1=C(C)N=CC(C)(N)C=C1.
What is the InChIKey of 3,6,7-trimethylazepin-3-amine?
The InChIKey is KQIWGWVONDCZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-5-9(3,10)6-11-8(7)2/h4-6H,10H2,1-3H3.
What are the key properties of 3,6,7-trimethylazepin-3-amine?
3,6,7-trimethylazepin-3-amine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethylazepin-3-amine is sourced from PubChem (CID 166814252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).