2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine

C11H19N — CID 76555976

IUPAC2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine
SMILESC=C(C=CC)NC(CC)C(=C)C
InChIInChI=1S/C11H19N/c1-6-8-10(5)12-11(7-2)9(3)4/h6,8,11-12H,3,5,7H2,1-2,4H3
InChIKeyAWHVWUSHHZITNV-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.02
Rot. Bonds5

About 2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine

2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine (PubChem CID 76555976) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine.

Molecular Properties

Compound Name2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine
PubChem CID76555976
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine
SMILESC=C(C=CC)NC(CC)C(=C)C
InChIInChI=1S/C11H19N/c1-6-8-10(5)12-11(7-2)9(3)4/h6,8,11-12H,3,5,7H2,1-2,4H3
InChIKeyAWHVWUSHHZITNV-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine?
The IUPAC name of 2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine (CID 76555976) is 2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine.
What is the SMILES notation for 2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine?
The canonical SMILES for 2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine is C=C(C=CC)NC(CC)C(=C)C.
What is the InChIKey of 2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine?
The InChIKey is AWHVWUSHHZITNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-8-10(5)12-11(7-2)9(3)4/h6,8,11-12H,3,5,7H2,1-2,4H3.
What are the key properties of 2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine?
2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine has a molecular weight of 165.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-penta-1,3-dien-2-ylpent-1-en-3-amine is sourced from PubChem (CID 76555976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).