(2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide

C14H22N2O — CID 89214945

IUPAC(2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide
SMILESC=C(N)/C=C\C(=C/C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2O/c1-3-12(10-9-11(2)15)14(17)16-13-7-5-4-6-8-13/h3,9-10,13H,2,4-8,15H2,1H3,(H,16,17)/b10-9-,12-3+
InChIKeySNJFGJBZSNSJON-FKFYTSLUSA-N
MW234.34 g/mol
LogP2.41
Rot. Bonds4

About (2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide

(2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide (PubChem CID 89214945) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide.

Molecular Properties

Compound Name(2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide
PubChem CID89214945
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide
SMILESC=C(N)/C=C\C(=C/C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2O/c1-3-12(10-9-11(2)15)14(17)16-13-7-5-4-6-8-13/h3,9-10,13H,2,4-8,15H2,1H3,(H,16,17)/b10-9-,12-3+
InChIKeySNJFGJBZSNSJON-FKFYTSLUSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide?
The IUPAC name of (2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide (CID 89214945) is (2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide.
What is the SMILES notation for (2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide?
The canonical SMILES for (2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide is C=C(N)/C=C\C(=C/C)C(=O)NC1CCCCC1.
What is the InChIKey of (2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide?
The InChIKey is SNJFGJBZSNSJON-FKFYTSLUSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-12(10-9-11(2)15)14(17)16-13-7-5-4-6-8-13/h3,9-10,13H,2,4-8,15H2,1H3,(H,16,17)/b10-9-,12-3+.
What are the key properties of (2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide?
(2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide has a molecular weight of 234.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-5-amino-N-cyclohexyl-2-ethylidenehexa-3,5-dienamide is sourced from PubChem (CID 89214945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).