(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide

C13H26N2O — CID 103831777

IUPAC(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC1CCCC1(C)C
InChIInChI=1S/C13H26N2O/c1-4-5-7-10(14)12(16)15-11-8-6-9-13(11,2)3/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t10-,11?/m0/s1
InChIKeyBVYVLUMWZJIVFO-VUWPPUDQSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds5

About (2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide

(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide (PubChem CID 103831777) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
PubChem CID103831777
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC1CCCC1(C)C
InChIInChI=1S/C13H26N2O/c1-4-5-7-10(14)12(16)15-11-8-6-9-13(11,2)3/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t10-,11?/m0/s1
InChIKeyBVYVLUMWZJIVFO-VUWPPUDQSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,2-dimethylcyclohexyl)pentanamide
CID 79877969
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
CID 79878132
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)pentanamide
CID 79870952
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide
CID 107146718
2-amino-N-(2,2-dimethylcyclohexyl)-4-methylpentanamide
CID 79878464
N-(2,2-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 79872575
N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide
CID 131177062
2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid
CID 103256663
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 112639940
(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 103951340

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide (CID 103831777) is (2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide is CCCC[C@H](N)C(=O)NC1CCCC1(C)C.
What is the InChIKey of (2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide?
The InChIKey is BVYVLUMWZJIVFO-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-7-10(14)12(16)15-11-8-6-9-13(11,2)3/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide?
(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide is sourced from PubChem (CID 103831777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).