3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide

C16H24N2O — CID 79856078

IUPAC3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCCC1NC(=O)c1cccc(CCN)c1
InChIInChI=1S/C16H24N2O/c1-16(2)9-4-7-14(16)18-15(19)13-6-3-5-12(11-13)8-10-17/h3,5-6,11,14H,4,7-10,17H2,1-2H3,(H,18,19)
InChIKeyDZWKMNCSLMHBOX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds4

About 3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide

3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide (PubChem CID 79856078) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
PubChem CID79856078
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCCC1NC(=O)c1cccc(CCN)c1
InChIInChI=1S/C16H24N2O/c1-16(2)9-4-7-14(16)18-15(19)13-6-3-5-12(11-13)8-10-17/h3,5-6,11,14H,4,7-10,17H2,1-2H3,(H,18,19)
InChIKeyDZWKMNCSLMHBOX-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488
3-[(2,2-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 79872227
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107211868
3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
CID 79872226
3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
CID 79855162
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 79873342
4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79872322
3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 62592616
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide (CID 79856078) is 3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide is CC1(C)CCCC1NC(=O)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide?
The InChIKey is DZWKMNCSLMHBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)9-4-7-14(16)18-15(19)13-6-3-5-12(11-13)8-10-17/h3,5-6,11,14H,4,7-10,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide?
3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide has a molecular weight of 260.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide is sourced from PubChem (CID 79856078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).