(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine

C16H28N2 — CID 145144066

IUPAC(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine
SMILESC/C=N/C(C)=C(C(/C)=C\CCC)\C(N)=C(/C)CC
InChIInChI=1S/C16H28N2/c1-7-10-11-13(5)15(14(6)18-9-3)16(17)12(4)8-2/h9,11H,7-8,10,17H2,1-6H3/b13-11-,15-14-,16-12-,18-9+
InChIKeyNNSRCDAOORQZEI-BQHDQGRJSA-N
MW248.41 g/mol
LogP4.74
Rot. Bonds6

About (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine

(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine (PubChem CID 145144066) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine.

Molecular Properties

Compound Name(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine
PubChem CID145144066
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine
SMILESC/C=N/C(C)=C(C(/C)=C\CCC)\C(N)=C(/C)CC
InChIInChI=1S/C16H28N2/c1-7-10-11-13(5)15(14(6)18-9-3)16(17)12(4)8-2/h9,11H,7-8,10,17H2,1-6H3/b13-11-,15-14-,16-12-,18-9+
InChIKeyNNSRCDAOORQZEI-BQHDQGRJSA-N
XLogP4.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-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 (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine?
The IUPAC name of (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine (CID 145144066) is (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine.
What is the SMILES notation for (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine?
The canonical SMILES for (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine is C/C=N/C(C)=C(C(/C)=C\CCC)\C(N)=C(/C)CC.
What is the InChIKey of (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine?
The InChIKey is NNSRCDAOORQZEI-BQHDQGRJSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-10-11-13(5)15(14(6)18-9-3)16(17)12(4)8-2/h9,11H,7-8,10,17H2,1-6H3/b13-11-,15-14-,16-12-,18-9+.
What are the key properties of (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine?
(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine has a molecular weight of 248.41 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3,6-dimethyldeca-3,6-dien-4-amine is sourced from PubChem (CID 145144066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).