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

C20H26N2 — CID 141066966

IUPACN-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine
SMILESCC1=CC(CC(=NNC2CCCCC2)c2ccccc2)C=C1
InChIInChI=1S/C20H26N2/c1-16-12-13-17(14-16)15-20(18-8-4-2-5-9-18)22-21-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,17,19,21H,3,6-7,10-11,15H2,1H3
InChIKeyGTDTXOCBRQVXCF-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.84
Rot. Bonds5

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

N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine (PubChem CID 141066966) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine.

Molecular Properties

Compound NameN-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine
PubChem CID141066966
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine
SMILESCC1=CC(CC(=NNC2CCCCC2)c2ccccc2)C=C1
InChIInChI=1S/C20H26N2/c1-16-12-13-17(14-16)15-20(18-8-4-2-5-9-18)22-21-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,17,19,21H,3,6-7,10-11,15H2,1H3
InChIKeyGTDTXOCBRQVXCF-UHFFFAOYSA-N
XLogP4.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.84
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-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine
CID 87495066
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
1-(3-methoxyphenyl)-2-(3-methylcyclopenta-2,4-dien-1-yl)ethanone
CID 174473537
N-[2-(cyclohexylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
CID 2817597
N-cyclohexylformamide;1-phenylethanone
CID 174611681
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
N-(4-cyclohexylcyclooctyl)benzamide
CID 166761299
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
CID 57202485
cyclohexanol;prop-1-en-2-ylbenzene
CID 69052526

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine?
The IUPAC name of N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine (CID 141066966) is N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine.
What is the SMILES notation for N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine?
The canonical SMILES for N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine is CC1=CC(CC(=NNC2CCCCC2)c2ccccc2)C=C1.
What is the InChIKey of N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine?
The InChIKey is GTDTXOCBRQVXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16-12-13-17(14-16)15-20(18-8-4-2-5-9-18)22-21-19-10-6-3-7-11-19/h2,4-5,8-9,12-14,17,19,21H,3,6-7,10-11,15H2,1H3.
What are the key properties of N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine?
N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine has a molecular weight of 294.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]cyclohexanamine is sourced from PubChem (CID 141066966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).