4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine

C12H19N — CID 129247180

IUPAC4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine
SMILESCC(=CC(C)N(C)C)C1=CC=CC1
InChIInChI=1S/C12H19N/c1-10(9-11(2)13(3)4)12-7-5-6-8-12/h5-7,9,11H,8H2,1-4H3
InChIKeyJRTGOXJGXJROBS-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.77
Rot. Bonds3

About 4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine

4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine (PubChem CID 129247180) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine.

Molecular Properties

Compound Name4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine
PubChem CID129247180
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine
SMILESCC(=CC(C)N(C)C)C1=CC=CC1
InChIInChI=1S/C12H19N/c1-10(9-11(2)13(3)4)12-7-5-6-8-12/h5-7,9,11H,8H2,1-4H3
InChIKeyJRTGOXJGXJROBS-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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine?
The IUPAC name of 4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine (CID 129247180) is 4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine.
What is the SMILES notation for 4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine?
The canonical SMILES for 4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine is CC(=CC(C)N(C)C)C1=CC=CC1.
What is the InChIKey of 4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine?
The InChIKey is JRTGOXJGXJROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10(9-11(2)13(3)4)12-7-5-6-8-12/h5-7,9,11H,8H2,1-4H3.
What are the key properties of 4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine?
4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine 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 4-cyclopenta-1,3-dien-1-yl-N,N-dimethylpent-3-en-2-amine is sourced from PubChem (CID 129247180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).