(3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine

C15H25N — CID 118181314

IUPAC(3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine
SMILESC=C/C=C/C(=C/CC)C(C)NC/C=C\CC
InChIInChI=1S/C15H25N/c1-5-8-10-13-16-14(4)15(11-7-3)12-9-6-2/h6,8-12,14,16H,2,5,7,13H2,1,3-4H3/b10-8-,12-9+,15-11-
InChIKeyHJFZRVBQJDMZQE-JOVOITPGSA-N
MW219.37 g/mol
LogP4.01
Rot. Bonds8

About (3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine

(3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine (PubChem CID 118181314) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine
PubChem CID118181314
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine
SMILESC=C/C=C/C(=C/CC)C(C)NC/C=C\CC
InChIInChI=1S/C15H25N/c1-5-8-10-13-16-14(4)15(11-7-3)12-9-6-2/h6,8-12,14,16H,2,5,7,13H2,1,3-4H3/b10-8-,12-9+,15-11-
InChIKeyHJFZRVBQJDMZQE-JOVOITPGSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.01
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 (3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine?
The IUPAC name of (3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine (CID 118181314) is (3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine.
What is the SMILES notation for (3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine?
The canonical SMILES for (3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine is C=C/C=C/C(=C/CC)C(C)NC/C=C\CC.
What is the InChIKey of (3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine?
The InChIKey is HJFZRVBQJDMZQE-JOVOITPGSA-N. The full InChI is InChI=1S/C15H25N/c1-5-8-10-13-16-14(4)15(11-7-3)12-9-6-2/h6,8-12,14,16H,2,5,7,13H2,1,3-4H3/b10-8-,12-9+,15-11-.
What are the key properties of (3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine?
(3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine has a molecular weight of 219.37 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4E)-N-[(Z)-pent-2-enyl]-3-propylidenehepta-4,6-dien-2-amine is sourced from PubChem (CID 118181314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).