2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine

C11H17N — CID 135175151

IUPAC2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine
SMILESC=CC(C=C)=C(C=C)CN(C)C
InChIInChI=1S/C11H17N/c1-6-10(7-2)11(8-3)9-12(4)5/h6-8H,1-3,9H2,4-5H3
InChIKeyNFCCLYIHWMPZSN-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.40
Rot. Bonds5

About 2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine

2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine (PubChem CID 135175151) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine
PubChem CID135175151
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine
SMILESC=CC(C=C)=C(C=C)CN(C)C
InChIInChI=1S/C11H17N/c1-6-10(7-2)11(8-3)9-12(4)5/h6-8H,1-3,9H2,4-5H3
InChIKeyNFCCLYIHWMPZSN-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine?
The IUPAC name of 2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine (CID 135175151) is 2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for 2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine?
The canonical SMILES for 2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine is C=CC(C=C)=C(C=C)CN(C)C.
What is the InChIKey of 2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine?
The InChIKey is NFCCLYIHWMPZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-6-10(7-2)11(8-3)9-12(4)5/h6-8H,1-3,9H2,4-5H3.
What are the key properties of 2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine?
2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-N,N-dimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 135175151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).