(3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine

C15H26N2 — CID 126593849

IUPAC(3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(/N=C/CCC)=C(\C)[C@H](C)CC
InChIInChI=1S/C15H26N2/c1-6-9-11-17-15(14(16)10-7-2)13(5)12(4)8-3/h7,10-12H,2,6,8-9,16H2,1,3-5H3/b14-10+,15-13+,17-11+/t12-/m1/s1
InChIKeyCHLIKYACJQYSKK-JZBVZLBSSA-N
MW234.39 g/mol
LogP4.21
Rot. Bonds7

About (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine

(3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine (PubChem CID 126593849) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine
PubChem CID126593849
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(/N=C/CCC)=C(\C)[C@H](C)CC
InChIInChI=1S/C15H26N2/c1-6-9-11-17-15(14(16)10-7-2)13(5)12(4)8-3/h7,10-12H,2,6,8-9,16H2,1,3-5H3/b14-10+,15-13+,17-11+/t12-/m1/s1
InChIKeyCHLIKYACJQYSKK-JZBVZLBSSA-N
XLogP4.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.21
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 (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-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 (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine (CID 126593849) is (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine is C=C/C=C(N)\C(/N=C/CCC)=C(\C)[C@H](C)CC.
What is the InChIKey of (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine?
The InChIKey is CHLIKYACJQYSKK-JZBVZLBSSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-9-11-17-15(14(16)10-7-2)13(5)12(4)8-3/h7,10-12H,2,6,8-9,16H2,1,3-5H3/b14-10+,15-13+,17-11+/t12-/m1/s1.
What are the key properties of (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine?
(3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine has a molecular weight of 234.39 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine is sourced from PubChem (CID 126593849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).