3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide

C13H26N2O — CID 115154472

IUPAC3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
SMILESCC(N)CC(=O)NCC(C)(C)C1CCCC1
InChIInChI=1S/C13H26N2O/c1-10(14)8-12(16)15-9-13(2,3)11-6-4-5-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyZRLYDEQJYSJXLR-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds5

About 3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide

3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide (PubChem CID 115154472) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
PubChem CID115154472
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
SMILESCC(N)CC(=O)NCC(C)(C)C1CCCC1
InChIInChI=1S/C13H26N2O/c1-10(14)8-12(16)15-9-13(2,3)11-6-4-5-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyZRLYDEQJYSJXLR-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526
3-amino-N-(2-cyclopentyl-2-methylpropyl)propanamide
CID 115153176
N-(2-cyclopentyl-2-methylpropyl)-3-hydroxypropanamide
CID 115139545
N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
CID 115167608
4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165302
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)-3-methylbutanamide
CID 115187449
3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
CID 115174087
4-amino-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]pentanamide
CID 115156862
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide?
The IUPAC name of 3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide (CID 115154472) is 3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide?
The canonical SMILES for 3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide is CC(N)CC(=O)NCC(C)(C)C1CCCC1.
What is the InChIKey of 3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide?
The InChIKey is ZRLYDEQJYSJXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(14)8-12(16)15-9-13(2,3)11-6-4-5-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide?
3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide is sourced from PubChem (CID 115154472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).