1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine

C11H18N2 — CID 89220007

IUPAC1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)/C=C1\C=CC=C1CN(C)C
InChIInChI=1S/C11H18N2/c1-12(2)8-10-6-5-7-11(10)9-13(3)4/h5-8H,9H2,1-4H3/b10-8+
InChIKeyWTEVRRVEBMOLQO-CSKARUKUSA-N
MW178.28 g/mol
LogP1.49
Rot. Bonds3

About 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine

1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 89220007) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID89220007
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)/C=C1\C=CC=C1CN(C)C
InChIInChI=1S/C11H18N2/c1-12(2)8-10-6-5-7-11(10)9-13(3)4/h5-8H,9H2,1-4H3/b10-8+
InChIKeyWTEVRRVEBMOLQO-CSKARUKUSA-N
XLogP1.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine 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 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine (CID 89220007) is 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine is CN(C)/C=C1\C=CC=C1CN(C)C.
What is the InChIKey of 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is WTEVRRVEBMOLQO-CSKARUKUSA-N. The full InChI is InChI=1S/C11H18N2/c1-12(2)8-10-6-5-7-11(10)9-13(3)4/h5-8H,9H2,1-4H3/b10-8+.
What are the key properties of 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 178.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5E)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 89220007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).