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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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).