4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide

C17H26N2O — CID 89214827

IUPAC4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide
SMILESC=C/C(=C\C=C1CCCC1)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C17H26N2O/c1-2-16(12-7-13-5-3-4-6-13)19-17(20)14-8-10-15(18)11-9-14/h2,7,12,14-15H,1,3-6,8-11,18H2,(H,19,20)/b16-12+
InChIKeyCXHZRKFCXWMOJQ-FOWTUZBSSA-N
MW274.41 g/mol
LogP3.19
Rot. Bonds4

About 4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide

4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide (PubChem CID 89214827) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide
PubChem CID89214827
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide
SMILESC=C/C(=C\C=C1CCCC1)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C17H26N2O/c1-2-16(12-7-13-5-3-4-6-13)19-17(20)14-8-10-15(18)11-9-14/h2,7,12,14-15H,1,3-6,8-11,18H2,(H,19,20)/b16-12+
InChIKeyCXHZRKFCXWMOJQ-FOWTUZBSSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide
CID 70974424
(1S)-4-amino-N-(2,4-dimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohex-2-ene-1-carboxamide
CID 70892671
4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
CID 70974460
N-(2,3,7,7a-tetrahydro-1H-inden-5-yl)-4-(2-methylbutan-2-ylsulfinylamino)cyclohexane-1-carboxamide
CID 71040349
4-amino-N-(2,3,5,6-tetrahydro-1H-inden-5-yl)cyclohexane-1-carboxamide
CID 71040351
5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
CID 71040373
4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide
CID 89073698
4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide
CID 89073701
4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide
CID 89073783
N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide
CID 89073859
4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
CID 89153819
N-[(3E)-2-cyclopentylidenehexa-3,5-dien-3-yl]-4-(methylamino)cyclohex-2-ene-1-carboxamide
CID 89214939

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide (CID 89214827) is 4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide is C=C/C(=C\C=C1CCCC1)NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide?
The InChIKey is CXHZRKFCXWMOJQ-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-16(12-7-13-5-3-4-6-13)19-17(20)14-8-10-15(18)11-9-14/h2,7,12,14-15H,1,3-6,8-11,18H2,(H,19,20)/b16-12+.
What are the key properties of 4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide?
4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 89214827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).