N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine

C10H13N — CID 66781145

IUPACN-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=CC=CC1=C(C)C
InChIInChI=1S/C10H13N/c1-8(2)9-6-4-5-7-10(9)11-3/h4-7H,1-3H3/b11-10+
InChIKeyHVAJLZMGRUKSCR-ZHACJKMWSA-N
MW147.22 g/mol
LogP2.52
Rot. Bonds

About N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine

N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine (PubChem CID 66781145) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
PubChem CID66781145
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
SMILESC/N=C1\C=CC=CC1=C(C)C
InChIInChI=1S/C10H13N/c1-8(2)9-6-4-5-7-10(9)11-3/h4-7H,1-3H3/b11-10+
InChIKeyHVAJLZMGRUKSCR-ZHACJKMWSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine 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 N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine (CID 66781145) is N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine is C/N=C1\C=CC=CC1=C(C)C.
What is the InChIKey of N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is HVAJLZMGRUKSCR-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H13N/c1-8(2)9-6-4-5-7-10(9)11-3/h4-7H,1-3H3/b11-10+.
What are the key properties of N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 147.22 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 66781145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).