N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide

C16H18N2O — CID 119384164

IUPACN-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
SMILESNCCNC(=O)C1CC1c1ccc2ccccc2c1
InChIInChI=1S/C16H18N2O/c17-7-8-18-16(19)15-10-14(15)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10,17H2,(H,18,19)
InChIKeyJSIADEGIXFMURN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.02
Rot. Bonds4

About N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide

N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide (PubChem CID 119384164) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
PubChem CID119384164
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
SMILESNCCNC(=O)C1CC1c1ccc2ccccc2c1
InChIInChI=1S/C16H18N2O/c17-7-8-18-16(19)15-10-14(15)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10,17H2,(H,18,19)
InChIKeyJSIADEGIXFMURN-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119998352
2-(4-fluorophenyl)-N-(2-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78866705
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 120650801
trans-(1S,2S)-N-(3-imidazol-1-ylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 97084572
N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 119382396
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 110001055
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119607624
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698297

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide (CID 119384164) is N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide is NCCNC(=O)C1CC1c1ccc2ccccc2c1.
What is the InChIKey of N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide?
The InChIKey is JSIADEGIXFMURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-7-8-18-16(19)15-10-14(15)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10,17H2,(H,18,19).
What are the key properties of N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide?
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 119384164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).