(3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine

C20H36ClN — CID 144845854

IUPAC(3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine
SMILESC=C/C(=C(C(\Cl)=C/C)/N(CCC)CCCC(C)CC)C(C)C
InChIInChI=1S/C20H36ClN/c1-8-14-22(15-12-13-17(7)9-2)20(19(21)11-4)18(10-3)16(5)6/h10-11,16-17H,3,8-9,12-15H2,1-2,4-7H3/b19-11+,20-18-
InChIKeyFOVFKZQCZWMFBP-IVUIJMHVSA-N
MW325.97 g/mol
LogP6.76
Rot. Bonds11

About (3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine

(3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine (PubChem CID 144845854) has the molecular formula C20H36ClN and a molecular weight of 325.97 g/mol. Its IUPAC name is (3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine
PubChem CID144845854
Molecular FormulaC20H36ClN
Molecular Weight325.97 g/mol
Exact Mass325.25
IUPAC Name(3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine
SMILESC=C/C(=C(C(\Cl)=C/C)/N(CCC)CCCC(C)CC)C(C)C
InChIInChI=1S/C20H36ClN/c1-8-14-22(15-12-13-17(7)9-2)20(19(21)11-4)18(10-3)16(5)6/h10-11,16-17H,3,8-9,12-15H2,1-2,4-7H3/b19-11+,20-18-
InChIKeyFOVFKZQCZWMFBP-IVUIJMHVSA-N
XLogP6.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.97
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-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)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine (CID 144845854) is (3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine is C=C/C(=C(C(\Cl)=C/C)/N(CCC)CCCC(C)CC)C(C)C.
What is the InChIKey of (3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine?
The InChIKey is FOVFKZQCZWMFBP-IVUIJMHVSA-N. The full InChI is InChI=1S/C20H36ClN/c1-8-14-22(15-12-13-17(7)9-2)20(19(21)11-4)18(10-3)16(5)6/h10-11,16-17H,3,8-9,12-15H2,1-2,4-7H3/b19-11+,20-18-.
What are the key properties of (3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine?
(3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine has a molecular weight of 325.97 g/mol, XLogP of 6.76, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-chloro-N-(4-methylhexyl)-3-propan-2-yl-N-propylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 144845854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).