(1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine

C19H33N5 — CID 89139481

IUPAC(1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(/C=C\C(=C/N)CNC(=C)/C=C\C(=C/N)NCCC)NCCC
InChIInChI=1S/C19H33N5/c1-5-11-22-16(3)7-9-18(13-20)15-24-17(4)8-10-19(14-21)23-12-6-2/h7-10,13-14,22-24H,3-6,11-12,15,20-21H2,1-2H3/b9-7-,10-8-,18-13+,19-14+
InChIKeyJWYGBYZMOAMUAF-KMIOSYTKSA-N
MW331.51 g/mol
LogP2.36
Rot. Bonds13

About (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine

(1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine (PubChem CID 89139481) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine
PubChem CID89139481
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name(1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(/C=C\C(=C/N)CNC(=C)/C=C\C(=C/N)NCCC)NCCC
InChIInChI=1S/C19H33N5/c1-5-11-22-16(3)7-9-18(13-20)15-24-17(4)8-10-19(14-21)23-12-6-2/h7-10,13-14,22-24H,3-6,11-12,15,20-21H2,1-2H3/b9-7-,10-8-,18-13+,19-14+
InChIKeyJWYGBYZMOAMUAF-KMIOSYTKSA-N
XLogP2.36
TPSA88.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine 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 (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine (CID 89139481) is (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine is C=C(/C=C\C(=C/N)CNC(=C)/C=C\C(=C/N)NCCC)NCCC.
What is the InChIKey of (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine?
The InChIKey is JWYGBYZMOAMUAF-KMIOSYTKSA-N. The full InChI is InChI=1S/C19H33N5/c1-5-11-22-16(3)7-9-18(13-20)15-24-17(4)8-10-19(14-21)23-12-6-2/h7-10,13-14,22-24H,3-6,11-12,15,20-21H2,1-2H3/b9-7-,10-8-,18-13+,19-14+.
What are the key properties of (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine?
(1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine has a molecular weight of 331.51 g/mol, XLogP of 2.36, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-[[[(3Z,5E)-6-amino-5-(propylamino)hexa-1,3,5-trien-2-yl]amino]methyl]-5-N-propylhexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 89139481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).