6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine

C10H14N2 — CID 134286809

IUPAC6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine
SMILESC=C(C)NC1=NC=C(C)C=CC1
InChIInChI=1S/C10H14N2/c1-8(2)12-10-6-4-5-9(3)7-11-10/h4-5,7H,1,6H2,2-3H3,(H,11,12)
InChIKeyMMMXEMSFYOFMAS-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.37
Rot. Bonds1

About 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine

6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine (PubChem CID 134286809) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine.

Molecular Properties

Compound Name6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine
PubChem CID134286809
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine
SMILESC=C(C)NC1=NC=C(C)C=CC1
InChIInChI=1S/C10H14N2/c1-8(2)12-10-6-4-5-9(3)7-11-10/h4-5,7H,1,6H2,2-3H3,(H,11,12)
InChIKeyMMMXEMSFYOFMAS-UHFFFAOYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine?
The IUPAC name of 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine (CID 134286809) is 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine.
What is the SMILES notation for 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine?
The canonical SMILES for 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine is C=C(C)NC1=NC=C(C)C=CC1.
What is the InChIKey of 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine?
The InChIKey is MMMXEMSFYOFMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8(2)12-10-6-4-5-9(3)7-11-10/h4-5,7H,1,6H2,2-3H3,(H,11,12).
What are the key properties of 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine?
6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine has a molecular weight of 162.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-prop-1-en-2-yl-3H-azepin-2-amine is sourced from PubChem (CID 134286809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).