N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine

C32H55N3 — CID 139543862

IUPACN'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine
SMILESC=C(CCC(C)(CC)CCCC)NCCCCCCNC(=C/C)/C(=C\C)/N=C1\CC=CC=C1CC
InChIInChI=1S/C32H55N3/c1-8-13-23-32(7,12-5)24-22-27(6)33-25-18-14-15-19-26-34-29(10-3)30(11-4)35-31-21-17-16-20-28(31)9-2/h10-11,16-17,20,33-34H,6,8-9,12-15,18-19,21-26H2,1-5,7H3/b29-10+,30-11+,35-31+
InChIKeyKXJYZNYGSBIEEB-MORCFURZSA-N
MW481.81 g/mol
LogP9.17
Rot. Bonds19

About N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine

N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine (PubChem CID 139543862) has the molecular formula C32H55N3 and a molecular weight of 481.81 g/mol. Its IUPAC name is N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine
PubChem CID139543862
Molecular FormulaC32H55N3
Molecular Weight481.81 g/mol
Exact Mass481.44
IUPAC NameN'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine
SMILESC=C(CCC(C)(CC)CCCC)NCCCCCCNC(=C/C)/C(=C\C)/N=C1\CC=CC=C1CC
InChIInChI=1S/C32H55N3/c1-8-13-23-32(7,12-5)24-22-27(6)33-25-18-14-15-19-26-34-29(10-3)30(11-4)35-31-21-17-16-20-28(31)9-2/h10-11,16-17,20,33-34H,6,8-9,12-15,18-19,21-26H2,1-5,7H3/b29-10+,30-11+,35-31+
InChIKeyKXJYZNYGSBIEEB-MORCFURZSA-N
XLogP9.17
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.81
LogP ≤ 59.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-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 N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine?
The IUPAC name of N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine (CID 139543862) is N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine?
The canonical SMILES for N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine is C=C(CCC(C)(CC)CCCC)NCCCCCCNC(=C/C)/C(=C\C)/N=C1\CC=CC=C1CC.
What is the InChIKey of N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine?
The InChIKey is KXJYZNYGSBIEEB-MORCFURZSA-N. The full InChI is InChI=1S/C32H55N3/c1-8-13-23-32(7,12-5)24-22-27(6)33-25-18-14-15-19-26-34-29(10-3)30(11-4)35-31-21-17-16-20-28(31)9-2/h10-11,16-17,20,33-34H,6,8-9,12-15,18-19,21-26H2,1-5,7H3/b29-10+,30-11+,35-31+.
What are the key properties of N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine?
N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine has a molecular weight of 481.81 g/mol, XLogP of 9.17, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5-ethyl-5-methylnon-1-en-2-yl)hexane-1,6-diamine is sourced from PubChem (CID 139543862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).