N-ethenyl-N-methylocta-2,5-dien-4-amine

C11H19N — CID 123647055

IUPACN-ethenyl-N-methylocta-2,5-dien-4-amine
SMILESC=CN(C)C(C=CC)C=CCC
InChIInChI=1S/C11H19N/c1-5-8-10-11(9-6-2)12(4)7-3/h6-11H,3,5H2,1-2,4H3
InChIKeyJRTKHVPADAWCOD-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.97
Rot. Bonds5

About N-ethenyl-N-methylocta-2,5-dien-4-amine

N-ethenyl-N-methylocta-2,5-dien-4-amine (PubChem CID 123647055) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-ethenyl-N-methylocta-2,5-dien-4-amine.

Molecular Properties

Compound NameN-ethenyl-N-methylocta-2,5-dien-4-amine
PubChem CID123647055
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-ethenyl-N-methylocta-2,5-dien-4-amine
SMILESC=CN(C)C(C=CC)C=CCC
InChIInChI=1S/C11H19N/c1-5-8-10-11(9-6-2)12(4)7-3/h6-11H,3,5H2,1-2,4H3
InChIKeyJRTKHVPADAWCOD-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methylocta-2,5-dien-4-amine?
The IUPAC name of N-ethenyl-N-methylocta-2,5-dien-4-amine (CID 123647055) is N-ethenyl-N-methylocta-2,5-dien-4-amine.
What is the SMILES notation for N-ethenyl-N-methylocta-2,5-dien-4-amine?
The canonical SMILES for N-ethenyl-N-methylocta-2,5-dien-4-amine is C=CN(C)C(C=CC)C=CCC.
What is the InChIKey of N-ethenyl-N-methylocta-2,5-dien-4-amine?
The InChIKey is JRTKHVPADAWCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-10-11(9-6-2)12(4)7-3/h6-11H,3,5H2,1-2,4H3.
What are the key properties of N-ethenyl-N-methylocta-2,5-dien-4-amine?
N-ethenyl-N-methylocta-2,5-dien-4-amine has a molecular weight of 165.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methylocta-2,5-dien-4-amine is sourced from PubChem (CID 123647055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).