[(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate

C19H22N2O2 — CID 3815100

IUPAC[(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate
SMILESNC(Cc1cccc2ccccc12)=NOC(=O)C1CCCCC1
InChIInChI=1S/C19H22N2O2/c20-18(21-23-19(22)15-8-2-1-3-9-15)13-16-11-6-10-14-7-4-5-12-17(14)16/h4-7,10-12,15H,1-3,8-9,13H2,(H2,20,21)
InChIKeySQLCVPSBXNHBCG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.78
Rot. Bonds4

About [(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate

[(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate (PubChem CID 3815100) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate.

Molecular Properties

Compound Name[(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate
PubChem CID3815100
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate
SMILESNC(Cc1cccc2ccccc12)=NOC(=O)C1CCCCC1
InChIInChI=1S/C19H22N2O2/c20-18(21-23-19(22)15-8-2-1-3-9-15)13-16-11-6-10-14-7-4-5-12-17(14)16/h4-7,10-12,15H,1-3,8-9,13H2,(H2,20,21)
InChIKeySQLCVPSBXNHBCG-UHFFFAOYSA-N
XLogP3.78
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate
CID 3130760
[(1-amino-2-naphthalen-1-ylethylidene)amino] 3-phenylpropanoate
CID 3700109
[(1-amino-2-naphthalen-1-ylethylidene)amino] 4-fluorobenzoate
CID 2225601
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] (2S)-2-phenylbutanoate
CID 6600746
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-naphthalen-1-ylacetate
CID 905125
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625308
N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
CID 119591137
2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid
CID 172567319
N'-naphthalen-1-ylcyclopentanecarboximidamide
CID 63173973
N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide
CID 93452521

Frequently Asked Questions

What is the IUPAC name of [(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate?
The IUPAC name of [(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate (CID 3815100) is [(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate.
What is the SMILES notation for [(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate?
The canonical SMILES for [(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate is NC(Cc1cccc2ccccc12)=NOC(=O)C1CCCCC1.
What is the InChIKey of [(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate?
The InChIKey is SQLCVPSBXNHBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-18(21-23-19(22)15-8-2-1-3-9-15)13-16-11-6-10-14-7-4-5-12-17(14)16/h4-7,10-12,15H,1-3,8-9,13H2,(H2,20,21).
What are the key properties of [(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate?
[(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate has a molecular weight of 310.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-amino-2-naphthalen-1-ylethylidene)amino] cyclohexanecarboxylate is sourced from PubChem (CID 3815100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).