(1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine

C26H39N3 — CID 129215157

IUPAC(1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine
SMILESC=C/C(=C\C=C(/N=C)NC/C(C)=C/C)N/C=C/C(=C\C(=C/CC1CC1)CC)CC
InChIInChI=1S/C26H39N3/c1-7-21(5)20-29-26(27-6)16-15-25(10-4)28-18-17-23(9-3)19-22(8-2)11-12-24-13-14-24/h7,10-11,15-19,24,28-29H,4,6,8-9,12-14,20H2,1-3,5H3/b18-17+,21-7+,22-11-,23-19-,25-15+,26-16+
InChIKeyLTYXRRYUQRJEHE-HPGQMURVSA-N
MW393.62 g/mol
LogP6.73
Rot. Bonds14

About (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine

(1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine (PubChem CID 129215157) has the molecular formula C26H39N3 and a molecular weight of 393.62 g/mol. Its IUPAC name is (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine
PubChem CID129215157
Molecular FormulaC26H39N3
Molecular Weight393.62 g/mol
Exact Mass393.31
IUPAC Name(1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine
SMILESC=C/C(=C\C=C(/N=C)NC/C(C)=C/C)N/C=C/C(=C\C(=C/CC1CC1)CC)CC
InChIInChI=1S/C26H39N3/c1-7-21(5)20-29-26(27-6)16-15-25(10-4)28-18-17-23(9-3)19-22(8-2)11-12-24-13-14-24/h7,10-11,15-19,24,28-29H,4,6,8-9,12-14,20H2,1-3,5H3/b18-17+,21-7+,22-11-,23-19-,25-15+,26-16+
InChIKeyLTYXRRYUQRJEHE-HPGQMURVSA-N
XLogP6.73
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-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 (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine?
The IUPAC name of (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine (CID 129215157) is (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine.
What is the SMILES notation for (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine?
The canonical SMILES for (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine is C=C/C(=C\C=C(/N=C)NC/C(C)=C/C)N/C=C/C(=C\C(=C/CC1CC1)CC)CC.
What is the InChIKey of (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine?
The InChIKey is LTYXRRYUQRJEHE-HPGQMURVSA-N. The full InChI is InChI=1S/C26H39N3/c1-7-21(5)20-29-26(27-6)16-15-25(10-4)28-18-17-23(9-3)19-22(8-2)11-12-24-13-14-24/h7,10-11,15-19,24,28-29H,4,6,8-9,12-14,20H2,1-3,5H3/b18-17+,21-7+,22-11-,23-19-,25-15+,26-16+.
What are the key properties of (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine?
(1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine has a molecular weight of 393.62 g/mol, XLogP of 6.73, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-N-[(1E,3Z,5Z)-7-cyclopropyl-3,5-diethylhepta-1,3,5-trienyl]-1-N-[(E)-2-methylbut-2-enyl]-1-(methylideneamino)hexa-1,3,5-triene-1,4-diamine is sourced from PubChem (CID 129215157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).