N-methyl-7-methyliminohepta-1,3,5-trien-1-amine

C9H14N2 — CID 54130969

IUPACN-methyl-7-methyliminohepta-1,3,5-trien-1-amine
SMILESC/N=C/C=CC=CC=CNC
InChIInChI=1S/C9H14N2/c1-10-8-6-4-3-5-7-9-11-2/h3-10H,1-2H3/b4-3?,7-5?,8-6?,11-9+
InChIKeyNUIOQSHEERZWBH-IGNAYHRHSA-N
MW150.22 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-7-methyliminohepta-1,3,5-trien-1-amine

N-methyl-7-methyliminohepta-1,3,5-trien-1-amine (PubChem CID 54130969) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-methyl-7-methyliminohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-methyl-7-methyliminohepta-1,3,5-trien-1-amine
PubChem CID54130969
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-methyl-7-methyliminohepta-1,3,5-trien-1-amine
SMILESC/N=C/C=CC=CC=CNC
InChIInChI=1S/C9H14N2/c1-10-8-6-4-3-5-7-9-11-2/h3-10H,1-2H3/b4-3?,7-5?,8-6?,11-9+
InChIKeyNUIOQSHEERZWBH-IGNAYHRHSA-N
XLogP1.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-methyliminohepta-1,3,5-trien-1-amine?
The IUPAC name of N-methyl-7-methyliminohepta-1,3,5-trien-1-amine (CID 54130969) is N-methyl-7-methyliminohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-methyl-7-methyliminohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-methyl-7-methyliminohepta-1,3,5-trien-1-amine is C/N=C/C=CC=CC=CNC.
What is the InChIKey of N-methyl-7-methyliminohepta-1,3,5-trien-1-amine?
The InChIKey is NUIOQSHEERZWBH-IGNAYHRHSA-N. The full InChI is InChI=1S/C9H14N2/c1-10-8-6-4-3-5-7-9-11-2/h3-10H,1-2H3/b4-3?,7-5?,8-6?,11-9+.
What are the key properties of N-methyl-7-methyliminohepta-1,3,5-trien-1-amine?
N-methyl-7-methyliminohepta-1,3,5-trien-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-methyliminohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 54130969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).