(3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine

C15H27N2P — CID 177018872

IUPAC(3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine
SMILESCCC/C=C\C(=C(C)\N=C(/C)P)\C(N)=C(/C)CC
InChIInChI=1S/C15H27N2P/c1-6-8-9-10-14(12(4)17-13(5)18)15(16)11(3)7-2/h9-10H,6-8,16,18H2,1-5H3/b10-9-,14-12-,15-11-,17-13+
InChIKeyYNYLTYUQWBIDFS-HHXBMGHLSA-N
MW266.37 g/mol
LogP4.55
Rot. Bonds6

About (3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine

(3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine (PubChem CID 177018872) has the molecular formula C15H27N2P and a molecular weight of 266.37 g/mol. Its IUPAC name is (3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine.

Molecular Properties

Compound Name(3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine
PubChem CID177018872
Molecular FormulaC15H27N2P
Molecular Weight266.37 g/mol
Exact Mass266.19
IUPAC Name(3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine
SMILESCCC/C=C\C(=C(C)\N=C(/C)P)\C(N)=C(/C)CC
InChIInChI=1S/C15H27N2P/c1-6-8-9-10-14(12(4)17-13(5)18)15(16)11(3)7-2/h9-10H,6-8,16,18H2,1-5H3/b10-9-,14-12-,15-11-,17-13+
InChIKeyYNYLTYUQWBIDFS-HHXBMGHLSA-N
XLogP4.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-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)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine?
The IUPAC name of (3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine (CID 177018872) is (3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine.
What is the SMILES notation for (3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine?
The canonical SMILES for (3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine is CCC/C=C\C(=C(C)\N=C(/C)P)\C(N)=C(/C)CC.
What is the InChIKey of (3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine?
The InChIKey is YNYLTYUQWBIDFS-HHXBMGHLSA-N. The full InChI is InChI=1S/C15H27N2P/c1-6-8-9-10-14(12(4)17-13(5)18)15(16)11(3)7-2/h9-10H,6-8,16,18H2,1-5H3/b10-9-,14-12-,15-11-,17-13+.
What are the key properties of (3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine?
(3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine has a molecular weight of 266.37 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,6Z)-3-methyl-5-[1-(1-phosphanylethylideneamino)ethylidene]deca-3,6-dien-4-amine is sourced from PubChem (CID 177018872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).