N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide

C16H24N2O — CID 63755882

IUPACN-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(CCN)C2CCCC2)c1
InChIInChI=1S/C16H24N2O/c1-12-9-13(2)11-14(10-12)16(19)18(8-7-17)15-5-3-4-6-15/h9-11,15H,3-8,17H2,1-2H3
InChIKeyPNMDNNBFTWQOSJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.65
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide

N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide (PubChem CID 63755882) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
PubChem CID63755882
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(CCN)C2CCCC2)c1
InChIInChI=1S/C16H24N2O/c1-12-9-13(2)11-14(10-12)16(19)18(8-7-17)15-5-3-4-6-15/h9-11,15H,3-8,17H2,1-2H3
InChIKeyPNMDNNBFTWQOSJ-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 47212500
N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
CID 63755708
3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
CID 81324250
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405
N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373
N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 63753713
N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
CID 63755155
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide (CID 63755882) is N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)N(CCN)C2CCCC2)c1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide?
The InChIKey is PNMDNNBFTWQOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-9-13(2)11-14(10-12)16(19)18(8-7-17)15-5-3-4-6-15/h9-11,15H,3-8,17H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide?
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide is sourced from PubChem (CID 63755882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).