4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid

C19H23NO2 — CID 122031153

IUPAC4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCc2cccc3ccccc23)CC1
InChIInChI=1S/C19H23NO2/c21-19(22)16-8-10-17(11-9-16)20-13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-7,16-17,20H,8-13H2,(H,21,22)
InChIKeyJHSADQVKCDGCNT-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.62
Rot. Bonds5

About 4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid

4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid (PubChem CID 122031153) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid
PubChem CID122031153
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCc2cccc3ccccc23)CC1
InChIInChI=1S/C19H23NO2/c21-19(22)16-8-10-17(11-9-16)20-13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-7,16-17,20H,8-13H2,(H,21,22)
InChIKeyJHSADQVKCDGCNT-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 122030535
4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 63064027
N-(2-naphthalen-1-ylethyl)piperidin-4-amine
CID 115118495
4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024923
4-(2-quinolin-3-ylethylamino)cyclohexane-1-carboxylic acid
CID 167889183
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221686
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
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2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034

Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid (CID 122031153) is 4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCc2cccc3ccccc23)CC1.
What is the InChIKey of 4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is JHSADQVKCDGCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-19(22)16-8-10-17(11-9-16)20-13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-7,16-17,20H,8-13H2,(H,21,22).
What are the key properties of 4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid?
4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122031153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).