2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine

C9H12N2 — CID 142206584

IUPAC2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine
SMILESCNCCC1=CC=NC=C=C1
InChIInChI=1S/C9H12N2/c1-10-7-4-9-3-2-6-11-8-5-9/h3,5-6,8,10H,4,7H2,1H3
InChIKeyLVJMUHSERXQERL-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.28
Rot. Bonds3

About 2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine

2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine (PubChem CID 142206584) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine
PubChem CID142206584
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine
SMILESCNCCC1=CC=NC=C=C1
InChIInChI=1S/C9H12N2/c1-10-7-4-9-3-2-6-11-8-5-9/h3,5-6,8,10H,4,7H2,1H3
InChIKeyLVJMUHSERXQERL-UHFFFAOYSA-N
XLogP1.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine?
The IUPAC name of 2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine (CID 142206584) is 2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine is CNCCC1=CC=NC=C=C1.
What is the InChIKey of 2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine?
The InChIKey is LVJMUHSERXQERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-10-7-4-9-3-2-6-11-8-5-9/h3,5-6,8,10H,4,7H2,1H3.
What are the key properties of 2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine?
2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine has a molecular weight of 148.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azacyclohepta-1,3,5,6-tetraen-4-yl)-N-methylethanamine is sourced from PubChem (CID 142206584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).