2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine

C9H13N — CID 177432877

IUPAC2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine
SMILESCN(C)CCC1=C=CC=C1
InChIInChI=1S/C9H13N/c1-10(2)8-7-9-5-3-4-6-9/h3-5H,7-8H2,1-2H3
InChIKeyJKEVJWRPVSABLQ-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.59
Rot. Bonds3

About 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine

2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine (PubChem CID 177432877) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine
PubChem CID177432877
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine
SMILESCN(C)CCC1=C=CC=C1
InChIInChI=1S/C9H13N/c1-10(2)8-7-9-5-3-4-6-9/h3-5H,7-8H2,1-2H3
InChIKeyJKEVJWRPVSABLQ-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Dimethylamino)fulvene
CID 136523
1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Ferrocene, ((dimethylamino)methyl)-
CID 16211226
1,3-Cyclopentadiene, 5-[2-(dimethylamino)ethyl]-
CID 546878
(N,N-dimethylaminoethyl)cyclopentadiene
CID 12154709
o-Lithiodimethylbenzylamine
CID 10866427
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
(E)-6-[2-(dimethylamino)ethenyl]-fulvene
CID 13280603
2-(Cyclooctatetraenyl)ethyl-trimethylazanium
CID 91292553
2-Methyl-2-aza-5,7-octadiene
CID 123595184
(E,3Z)-N-ethyl-3-ethylidene-4-fluoro-N-methylhex-4-en-1-amine
CID 141920206
(Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine
CID 146499610

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine?
The IUPAC name of 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine (CID 177432877) is 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine.
What is the SMILES notation for 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine?
The canonical SMILES for 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine is CN(C)CCC1=C=CC=C1.
What is the InChIKey of 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine?
The InChIKey is JKEVJWRPVSABLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-10(2)8-7-9-5-3-4-6-9/h3-5H,7-8H2,1-2H3.
What are the key properties of 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine?
2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine has a molecular weight of 135.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,2,4-trien-1-yl-N,N-dimethylethanamine is sourced from PubChem (CID 177432877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).