(2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol

C16H26N2O — CID 143004103

IUPAC(2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol
SMILESC=CC(/C=C(/C)O)=C/C(=C)CNC1CCCCC1N
InChIInChI=1S/C16H26N2O/c1-4-14(10-13(3)19)9-12(2)11-18-16-8-6-5-7-15(16)17/h4,9-10,15-16,18-19H,1-2,5-8,11,17H2,3H3/b13-10-,14-9-
InChIKeyGJERZCPGNJXASS-DVICISQYSA-N
MW262.40 g/mol
LogP2.98
Rot. Bonds6

About (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol

(2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol (PubChem CID 143004103) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol.

Molecular Properties

Compound Name(2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol
PubChem CID143004103
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol
SMILESC=CC(/C=C(/C)O)=C/C(=C)CNC1CCCCC1N
InChIInChI=1S/C16H26N2O/c1-4-14(10-13(3)19)9-12(2)11-18-16-8-6-5-7-15(16)17/h4,9-10,15-16,18-19H,1-2,5-8,11,17H2,3H3/b13-10-,14-9-
InChIKeyGJERZCPGNJXASS-DVICISQYSA-N
XLogP2.98
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol 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 (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol?
The IUPAC name of (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol (CID 143004103) is (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol.
What is the SMILES notation for (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol?
The canonical SMILES for (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol is C=CC(/C=C(/C)O)=C/C(=C)CNC1CCCCC1N.
What is the InChIKey of (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol?
The InChIKey is GJERZCPGNJXASS-DVICISQYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14(10-13(3)19)9-12(2)11-18-16-8-6-5-7-15(16)17/h4,9-10,15-16,18-19H,1-2,5-8,11,17H2,3H3/b13-10-,14-9-.
What are the key properties of (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol?
(2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-[[(2-aminocyclohexyl)amino]methyl]-4-ethenylhepta-2,4,6-trien-2-ol is sourced from PubChem (CID 143004103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).