N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide

C13H26N2O — CID 64922160

IUPACN-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide
SMILESCCC1CCC(NC(=O)CCCNC)C1C
InChIInChI=1S/C13H26N2O/c1-4-11-7-8-12(10(11)2)15-13(16)6-5-9-14-3/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyBTPWETBMTDGORP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds6

About N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide

N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide (PubChem CID 64922160) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide
PubChem CID64922160
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide
SMILESCCC1CCC(NC(=O)CCCNC)C1C
InChIInChI=1S/C13H26N2O/c1-4-11-7-8-12(10(11)2)15-13(16)6-5-9-14-3/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyBTPWETBMTDGORP-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride
CID 119784936
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
2-(1-aminocyclobutyl)-N-(3-ethyl-2-methylcyclopentyl)acetamide
CID 79854054
3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 80700576
N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide
CID 107941727
3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea
CID 116656385
2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid
CID 64921913
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylacetamide
CID 64921195
N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
CID 64914468
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-2-oxoacetamide
CID 64917052
N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
CID 103515760
2-(4-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)acetamide
CID 64922495

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide (CID 64922160) is N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide is CCC1CCC(NC(=O)CCCNC)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide?
The InChIKey is BTPWETBMTDGORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11-7-8-12(10(11)2)15-13(16)6-5-9-14-3/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide?
N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide is sourced from PubChem (CID 64922160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).