(4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine

C11H19N — CID 88903006

IUPAC(4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine
SMILESC=C/C(C)=C(\C=C/C)C(N)CC
InChIInChI=1S/C11H19N/c1-5-8-10(9(4)6-2)11(12)7-3/h5-6,8,11H,2,7,12H2,1,3-4H3/b8-5-,10-9+
InChIKeyZYWRDZTWLAJHPA-RGPKZFNQSA-N
MW165.28 g/mol
LogP2.80
Rot. Bonds4

About (4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine

(4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine (PubChem CID 88903006) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine
PubChem CID88903006
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine
SMILESC=C/C(C)=C(\C=C/C)C(N)CC
InChIInChI=1S/C11H19N/c1-5-8-10(9(4)6-2)11(12)7-3/h5-6,8,11H,2,7,12H2,1,3-4H3/b8-5-,10-9+
InChIKeyZYWRDZTWLAJHPA-RGPKZFNQSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.80
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 (4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine?
The IUPAC name of (4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine (CID 88903006) is (4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine.
What is the SMILES notation for (4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine?
The canonical SMILES for (4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine is C=C/C(C)=C(\C=C/C)C(N)CC.
What is the InChIKey of (4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine?
The InChIKey is ZYWRDZTWLAJHPA-RGPKZFNQSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-10(9(4)6-2)11(12)7-3/h5-6,8,11H,2,7,12H2,1,3-4H3/b8-5-,10-9+.
What are the key properties of (4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine?
(4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine has a molecular weight of 165.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-amine is sourced from PubChem (CID 88903006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).