N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide

C13H26N2O — CID 107180769

IUPACN-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide
SMILESCC(C)CC(CN)NC(=O)C1CCCC1C
InChIInChI=1S/C13H26N2O/c1-9(2)7-11(8-14)15-13(16)12-6-4-5-10(12)3/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyANIUSTORZWQPNU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide

N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107180769) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide
PubChem CID107180769
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide
SMILESCC(C)CC(CN)NC(=O)C1CCCC1C
InChIInChI=1S/C13H26N2O/c1-9(2)7-11(8-14)15-13(16)12-6-4-5-10(12)3/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyANIUSTORZWQPNU-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
CID 119585747
ethane;(1R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143679818
(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid
CID 40965426
(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 10538955
N-(1-amino-4-methylpentan-3-yl)-2-methylcyclopentane-1-carboxamide
CID 106356810
N-(1-amino-4-methylpentan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475600
(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid
CID 107175625
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175538

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide (CID 107180769) is N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide is CC(C)CC(CN)NC(=O)C1CCCC1C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is ANIUSTORZWQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)7-11(8-14)15-13(16)12-6-4-5-10(12)3/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107180769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).