N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine

C21H28N2 — CID 87495066

IUPACN-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine
SMILESCC1=CC(C)=C(CC(=NNC2CCCCC2)c2ccccc2)C1
InChIInChI=1S/C21H28N2/c1-16-13-17(2)19(14-16)15-21(18-9-5-3-6-10-18)23-22-20-11-7-4-8-12-20/h3,5-6,9-10,13,20,22H,4,7-8,11-12,14-15H2,1-2H3
InChIKeyDZVGQZSNHQTRSC-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.37
Rot. Bonds5

About N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine

N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine (PubChem CID 87495066) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine
PubChem CID87495066
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine
SMILESCC1=CC(C)=C(CC(=NNC2CCCCC2)c2ccccc2)C1
InChIInChI=1S/C21H28N2/c1-16-13-17(2)19(14-16)15-21(18-9-5-3-6-10-18)23-22-20-11-7-4-8-12-20/h3,5-6,9-10,13,20,22H,4,7-8,11-12,14-15H2,1-2H3
InChIKeyDZVGQZSNHQTRSC-UHFFFAOYSA-N
XLogP5.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine
CID 141066966
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
2-phenylethyl N,N'-dicyclohexylcarbamimidate
CID 11727199
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
CID 57202485
N-cycloheptyl-3-[(2-methylphenyl)methylsulfanyl]propanamide
CID 4193377
N-cyclohexylformamide;1-phenylethanone
CID 174611681
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
[(Z)-5-cyclohexylpent-2-en-3-yl]benzene
CID 11241663
1-cyclohexyl-3-(1,3-diphenylpropan-2-ylideneamino)thiourea
CID 4225121
N-[[1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethylidene]amino]aniline
CID 87493998

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine?
The IUPAC name of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine (CID 87495066) is N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine.
What is the SMILES notation for N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine?
The canonical SMILES for N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine is CC1=CC(C)=C(CC(=NNC2CCCCC2)c2ccccc2)C1.
What is the InChIKey of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine?
The InChIKey is DZVGQZSNHQTRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-16-13-17(2)19(14-16)15-21(18-9-5-3-6-10-18)23-22-20-11-7-4-8-12-20/h3,5-6,9-10,13,20,22H,4,7-8,11-12,14-15H2,1-2H3.
What are the key properties of N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine?
N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine has a molecular weight of 308.47 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine is sourced from PubChem (CID 87495066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).