3,7-dimethylazepin-3-amine

C8H12N2 — CID 142031464

IUPAC3,7-dimethylazepin-3-amine
SMILESCC1=CC=CC(C)(N)C=N1
InChIInChI=1S/C8H12N2/c1-7-4-3-5-8(2,9)6-10-7/h3-6H,9H2,1-2H3
InChIKeyRIYLZXOFVGLJCO-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds

About 3,7-dimethylazepin-3-amine

3,7-dimethylazepin-3-amine (PubChem CID 142031464) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3,7-dimethylazepin-3-amine.

Molecular Properties

Compound Name3,7-dimethylazepin-3-amine
PubChem CID142031464
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3,7-dimethylazepin-3-amine
SMILESCC1=CC=CC(C)(N)C=N1
InChIInChI=1S/C8H12N2/c1-7-4-3-5-8(2,9)6-10-7/h3-6H,9H2,1-2H3
InChIKeyRIYLZXOFVGLJCO-UHFFFAOYSA-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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Related Compounds

6-Fluoro-6-methylazepine-2,4-diamine
CID 164000116
6-Fluoro-6-methylazepin-3-amine
CID 178157545
2-(3H-azepin-7-yl)ethanamine
CID 54217416
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(3Z)-3-(ethenyliminomethyl)hexa-1,3-dien-2-amine;yttrium
CID 60125184
(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyridin-3-amine
CID 87171102
3,5-Dimethylpyrrol-3-amine
CID 89275332
7-Methanimidoyl-3-methylcyclohepta-1,4,6-trien-1-amine
CID 89329451
3,3,7-Trimethylazepine
CID 90884929
7-Ethyl-3,3-dimethylazepine
CID 91365454
3,3-Dimethyl-6-(sulfinatoamino)azepine
CID 91463582
(3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine
CID 118213495

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylazepin-3-amine?
The IUPAC name of 3,7-dimethylazepin-3-amine (CID 142031464) is 3,7-dimethylazepin-3-amine.
What is the SMILES notation for 3,7-dimethylazepin-3-amine?
The canonical SMILES for 3,7-dimethylazepin-3-amine is CC1=CC=CC(C)(N)C=N1.
What is the InChIKey of 3,7-dimethylazepin-3-amine?
The InChIKey is RIYLZXOFVGLJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-4-3-5-8(2,9)6-10-7/h3-6H,9H2,1-2H3.
What are the key properties of 3,7-dimethylazepin-3-amine?
3,7-dimethylazepin-3-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 3,7-dimethylazepin-3-amine is sourced from PubChem (CID 142031464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).