N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

C13H26N2O — CID 120504549

IUPACN-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)N[C@@H](C)CN)CCCC1
InChIInChI=1S/C13H26N2O/c1-10(2)8-13(6-4-5-7-13)12(16)15-11(3)9-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyXVLKEVSCUOKXOR-NSHDSACASA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 120504549) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID120504549
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)N[C@@H](C)CN)CCCC1
InChIInChI=1S/C13H26N2O/c1-10(2)8-13(6-4-5-7-13)12(16)15-11(3)9-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyXVLKEVSCUOKXOR-NSHDSACASA-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

N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113376732
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 130609704
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
N-(2-amino-1-cyclopropylethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride
CID 119613969
N-[(2S)-1-aminopropan-2-yl]-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 130609703
N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114390037
N-(1-bromo-4-methylpentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114311733
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
(2R)-4-methyl-2-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 119363910
1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide
CID 64631433
2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
CID 58210371
N-(1-chloro-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114155001

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 120504549) is N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)N[C@@H](C)CN)CCCC1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is XVLKEVSCUOKXOR-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)8-13(6-4-5-7-13)12(16)15-11(3)9-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide 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 N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 120504549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).