1-(4H-azepin-7-yl)-N-methylmethanamine

C8H12N2 — CID 91307733

IUPAC1-(4H-azepin-7-yl)-N-methylmethanamine
SMILESCNCC1=NC=CCC=C1
InChIInChI=1S/C8H12N2/c1-9-7-8-5-3-2-4-6-10-8/h3-6,9H,2,7H2,1H3
InChIKeyZLYIKSDKEKCZPB-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.12
Rot. Bonds2

About 1-(4H-azepin-7-yl)-N-methylmethanamine

1-(4H-azepin-7-yl)-N-methylmethanamine (PubChem CID 91307733) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(4H-azepin-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4H-azepin-7-yl)-N-methylmethanamine
PubChem CID91307733
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-(4H-azepin-7-yl)-N-methylmethanamine
SMILESCNCC1=NC=CCC=C1
InChIInChI=1S/C8H12N2/c1-9-7-8-5-3-2-4-6-10-8/h3-6,9H,2,7H2,1H3
InChIKeyZLYIKSDKEKCZPB-UHFFFAOYSA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4H-azepin-7-yl)-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-Methyl-7-(methylimino)-1,3,5-cycloheptatrien-1-amine
CID 939724
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
Pyrroloazocine
CID 137224559
3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine
CID 176706612
N-methyl-1-(2H-pyrrol-5-yl)methanamine
CID 58270092
1H-cyclohepta[b]pyrazine
CID 68550528
(2E,6Z,9E,13Z)-5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
CID 69478667
(2Z,6Z,9Z,13Z)-5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
CID 69478668
5,7,12,14-Tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
CID 69478671
(Z)-2-[[(Z)-pent-3-en-2-ylidene]amino]prop-1-en-1-amine
CID 88874704
(Z)-4-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 88874705
5,7-dimethyl-1H-1,4-diazepine
CID 101208545

Frequently Asked Questions

What is the IUPAC name of 1-(4H-azepin-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(4H-azepin-7-yl)-N-methylmethanamine (CID 91307733) is 1-(4H-azepin-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4H-azepin-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4H-azepin-7-yl)-N-methylmethanamine is CNCC1=NC=CCC=C1.
What is the InChIKey of 1-(4H-azepin-7-yl)-N-methylmethanamine?
The InChIKey is ZLYIKSDKEKCZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-9-7-8-5-3-2-4-6-10-8/h3-6,9H,2,7H2,1H3.
What are the key properties of 1-(4H-azepin-7-yl)-N-methylmethanamine?
1-(4H-azepin-7-yl)-N-methylmethanamine has a molecular weight of 136.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-azepin-7-yl)-N-methylmethanamine is sourced from PubChem (CID 91307733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).