N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine

C12H19N — CID 15514425

IUPACN,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine
SMILESCC(C)=C1C=CC(CCN(C)C)=C1
InChIInChI=1S/C12H19N/c1-10(2)12-6-5-11(9-12)7-8-13(3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyJMZOPEDSPGHJPV-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.77
Rot. Bonds3

About N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine

N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine (PubChem CID 15514425) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine
PubChem CID15514425
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine
SMILESCC(C)=C1C=CC(CCN(C)C)=C1
InChIInChI=1S/C12H19N/c1-10(2)12-6-5-11(9-12)7-8-13(3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyJMZOPEDSPGHJPV-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine 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-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine (CID 15514425) is N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine is CC(C)=C1C=CC(CCN(C)C)=C1.
What is the InChIKey of N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine?
The InChIKey is JMZOPEDSPGHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)12-6-5-11(9-12)7-8-13(3)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine?
N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine is sourced from PubChem (CID 15514425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).