(E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal

C14H22N2O3 — CID 171622541

IUPAC(E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal
SMILESC/N=C/C=C(NC1CCC(OC)CC1)\C(C=O)=C/O
InChIInChI=1S/C14H22N2O3/c1-15-8-7-14(11(9-17)10-18)16-12-3-5-13(19-2)6-4-12/h7-10,12-13,16-17H,3-6H2,1-2H3/b11-9-,14-7+,15-8+
InChIKeyUYGAHXPGFJXENY-VELLFWIGSA-N
MW266.34 g/mol
LogP1.76
Rot. Bonds6

About (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal

(E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal (PubChem CID 171622541) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal.

Molecular Properties

Compound Name(E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal
PubChem CID171622541
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal
SMILESC/N=C/C=C(NC1CCC(OC)CC1)\C(C=O)=C/O
InChIInChI=1S/C14H22N2O3/c1-15-8-7-14(11(9-17)10-18)16-12-3-5-13(19-2)6-4-12/h7-10,12-13,16-17H,3-6H2,1-2H3/b11-9-,14-7+,15-8+
InChIKeyUYGAHXPGFJXENY-VELLFWIGSA-N
XLogP1.76
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxycyclohexyl)carbamic acid
CID 68557751
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
CID 136547195
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 59733437
N-(4-methoxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 163309885
4-methoxy-N-[2-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide
CID 171722184
1-methoxy-3-(3-methoxycyclopentyl)urea
CID 131201324
1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
CID 99830189
ethane-1,2-diol;methoxycyclopropane
CID 174681664
5-methoxycyclopentadecane-1-carbaldehyde
CID 130421288
1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol
CID 104530214

Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal?
The IUPAC name of (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal (CID 171622541) is (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal.
What is the SMILES notation for (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal?
The canonical SMILES for (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal is C/N=C/C=C(NC1CCC(OC)CC1)\C(C=O)=C/O.
What is the InChIKey of (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal?
The InChIKey is UYGAHXPGFJXENY-VELLFWIGSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-8-7-14(11(9-17)10-18)16-12-3-5-13(19-2)6-4-12/h7-10,12-13,16-17H,3-6H2,1-2H3/b11-9-,14-7+,15-8+.
What are the key properties of (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal?
(E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal has a molecular weight of 266.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-(hydroxymethylidene)-3-[(4-methoxycyclohexyl)amino]-5-methyliminopent-3-enal is sourced from PubChem (CID 171622541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).