(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine

C10H17N — CID 138735527

IUPAC(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine
SMILESC=C(C)C(/C=C\CC)=C/NC
InChIInChI=1S/C10H17N/c1-5-6-7-10(8-11-4)9(2)3/h6-8,11H,2,5H2,1,3-4H3/b7-6-,10-8+
InChIKeyONAABUQTGRKOEE-VAAURPRASA-N
MW151.25 g/mol
LogP2.63
Rot. Bonds4

About (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine

(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine (PubChem CID 138735527) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine
PubChem CID138735527
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine
SMILESC=C(C)C(/C=C\CC)=C/NC
InChIInChI=1S/C10H17N/c1-5-6-7-10(8-11-4)9(2)3/h6-8,11H,2,5H2,1,3-4H3/b7-6-,10-8+
InChIKeyONAABUQTGRKOEE-VAAURPRASA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
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 (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine (CID 138735527) is (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine is C=C(C)C(/C=C\CC)=C/NC.
What is the InChIKey of (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine?
The InChIKey is ONAABUQTGRKOEE-VAAURPRASA-N. The full InChI is InChI=1S/C10H17N/c1-5-6-7-10(8-11-4)9(2)3/h6-8,11H,2,5H2,1,3-4H3/b7-6-,10-8+.
What are the key properties of (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine?
(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine is sourced from PubChem (CID 138735527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).