1,3-dimethylazepin-2-amine

C8H12N2 — CID 141023883

IUPAC1,3-dimethylazepin-2-amine
SMILESCC1=C(N)N(C)C=CC=C1
InChIInChI=1S/C8H12N2/c1-7-5-3-4-6-10(2)8(7)9/h3-6H,9H2,1-2H3
InChIKeyRARAAVZMXLTPRS-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.19
Rot. Bonds

About 1,3-dimethylazepin-2-amine

1,3-dimethylazepin-2-amine (PubChem CID 141023883) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,3-dimethylazepin-2-amine.

Molecular Properties

Compound Name1,3-dimethylazepin-2-amine
PubChem CID141023883
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,3-dimethylazepin-2-amine
SMILESCC1=C(N)N(C)C=CC=C1
InChIInChI=1S/C8H12N2/c1-7-5-3-4-6-10(2)8(7)9/h3-6H,9H2,1-2H3
InChIKeyRARAAVZMXLTPRS-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(trifluoromethyl)-1H-azepin-2-amine
CID 155471569
N,N,5-trimethyl-1H-azepin-2-amine
CID 159277196
3,4-dimethyl-1H-azepine
CID 23559731
2H-2-benzazepin-3-amine
CID 56975039
1,3-Dimethylazepine
CID 66910947
4-methyl-1H-azepin-2-amine
CID 68901032
(2-Ethylazepin-1-yl)methanediamine
CID 70540483
(1E,4E)-2-[(1Z)-buta-1,3-dienyl]-N',N'-dimethyl-3-methylidenepenta-1,4-diene-1,5-diamine
CID 89224636
4-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydropyridin-2-amine
CID 90392293
6-Methyl-[1,3]thiazolo[3,2-a]azepine-2,3-diamine
CID 117998380
(E)-2-cyclohepta-1,3,6-trien-1-yl-N-methylethenamine
CID 138700357
(1Z)-1-N'-[(Z)-2-aminoethenyl]-1-N',3-dimethylbuta-1,3-diene-1,1-diamine
CID 139437868

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylazepin-2-amine?
The IUPAC name of 1,3-dimethylazepin-2-amine (CID 141023883) is 1,3-dimethylazepin-2-amine.
What is the SMILES notation for 1,3-dimethylazepin-2-amine?
The canonical SMILES for 1,3-dimethylazepin-2-amine is CC1=C(N)N(C)C=CC=C1.
What is the InChIKey of 1,3-dimethylazepin-2-amine?
The InChIKey is RARAAVZMXLTPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-5-3-4-6-10(2)8(7)9/h3-6H,9H2,1-2H3.
What are the key properties of 1,3-dimethylazepin-2-amine?
1,3-dimethylazepin-2-amine has a molecular weight of 136.20 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylazepin-2-amine is sourced from PubChem (CID 141023883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).