N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide

C13H26N2O — CID 115188971

IUPACN-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)NCCC1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-12(10-14-2)13(16)15-9-8-11-6-4-5-7-11/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyMBMGJWFAECUSMC-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds7

About N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide

N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide (PubChem CID 115188971) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide
PubChem CID115188971
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)NCCC1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-12(10-14-2)13(16)15-9-8-11-6-4-5-7-11/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyMBMGJWFAECUSMC-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115188973
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
N-(2-cyclobutyl-2-methylpropyl)-2-(methylaminomethyl)butanamide
CID 115189025
2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500875
N-cyclobutyl-2-(methylaminomethyl)butanamide
CID 115188777
N-(2-cyclohexylethyl)-3-(ethylamino)-2-methylpropanamide
CID 62853087
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
N-(2-cyclopentylethyl)-2-methoxypropanamide
CID 115588216
3-(2-cyclohexylethylamino)-2-(methylamino)-3-oxopropanoic acid
CID 115189528
2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115186732
N-(2-cyclobutylethyl)-2,2-difluoroacetamide
CID 103516050
2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115189024

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide?
The IUPAC name of N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide (CID 115188971) is N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide is CCC(CNC)C(=O)NCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide?
The InChIKey is MBMGJWFAECUSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-12(10-14-2)13(16)15-9-8-11-6-4-5-7-11/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide?
N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115188971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).