(E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine

C11H18N2 — CID 155000646

IUPAC(E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine
SMILESC=CC/C(C=C)=N\NCC/C=C/C
InChIInChI=1S/C11H18N2/c1-4-7-8-10-12-13-11(6-3)9-5-2/h4-7,12H,2-3,8-10H2,1H3/b7-4+,13-11-
InChIKeyDFWNNRROGCXADF-GWVNSSQISA-N
MW178.28 g/mol
LogP2.66
Rot. Bonds7

About (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine

(E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine (PubChem CID 155000646) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine
PubChem CID155000646
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine
SMILESC=CC/C(C=C)=N\NCC/C=C/C
InChIInChI=1S/C11H18N2/c1-4-7-8-10-12-13-11(6-3)9-5-2/h4-7,12H,2-3,8-10H2,1H3/b7-4+,13-11-
InChIKeyDFWNNRROGCXADF-GWVNSSQISA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine (CID 155000646) is (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine is C=CC/C(C=C)=N\NCC/C=C/C.
What is the InChIKey of (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine?
The InChIKey is DFWNNRROGCXADF-GWVNSSQISA-N. The full InChI is InChI=1S/C11H18N2/c1-4-7-8-10-12-13-11(6-3)9-5-2/h4-7,12H,2-3,8-10H2,1H3/b7-4+,13-11-.
What are the key properties of (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine?
(E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-hexa-1,5-dien-3-ylideneamino]pent-3-en-1-amine is sourced from PubChem (CID 155000646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).