N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine

C9H13N — CID 54164179

IUPACN,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine
SMILESCC1=CC=CC1=CN(C)C
InChIInChI=1S/C9H13N/c1-8-5-4-6-9(8)7-10(2)3/h4-7H,1-3H3
InChIKeyOQMPASXYCNJKQX-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.95
Rot. Bonds1

About N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine

N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine (PubChem CID 54164179) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine
PubChem CID54164179
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine
SMILESCC1=CC=CC1=CN(C)C
InChIInChI=1S/C9H13N/c1-8-5-4-6-9(8)7-10(2)3/h4-7H,1-3H3
InChIKeyOQMPASXYCNJKQX-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine 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,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine (CID 54164179) is N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine is CC1=CC=CC1=CN(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine?
The InChIKey is OQMPASXYCNJKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8-5-4-6-9(8)7-10(2)3/h4-7H,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine?
N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine has a molecular weight of 135.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylcyclopenta-2,4-dien-1-ylidene)methanamine is sourced from PubChem (CID 54164179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).