(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide

C11H22N2O — CID 130718522

IUPAC(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)NC1CCC(C)(C)C1
InChIInChI=1S/C11H22N2O/c1-8(10(14)12-4)13-9-5-6-11(2,3)7-9/h8-9,13H,5-7H2,1-4H3,(H,12,14)/t8-,9?/m0/s1
InChIKeyUKCXYHRBMQPDDZ-IENPIDJESA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds3

About (2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide

(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide (PubChem CID 130718522) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide
PubChem CID130718522
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)NC1CCC(C)(C)C1
InChIInChI=1S/C11H22N2O/c1-8(10(14)12-4)13-9-5-6-11(2,3)7-9/h8-9,13H,5-7H2,1-4H3,(H,12,14)/t8-,9?/m0/s1
InChIKeyUKCXYHRBMQPDDZ-IENPIDJESA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674949
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
N'-[(2S)-butan-2-yl]-N-(2-cyclopentylethyl)oxamide
CID 7326757
2-[(2,2-dimethylcyclopentyl)amino]-N-methyl-N-propan-2-ylpropanamide
CID 102562972
N-(cyclopropylmethyl)-2-[(2-ethyl-2-methylcyclopentyl)amino]acetamide
CID 126835314
2-amino-3,3,3-trifluoro-2-methyl-N-[(1-methylcyclopentyl)methyl]propanamide
CID 79811123
N-(2,2-dimethylcyclopentyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79833252
2-[(2,2-dimethylcyclopentyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79861442
2-amino-N-(2,2-dimethylcyclopentyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79870737
2-[(1-ethylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103764812
2-(cyclopentylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113222169
2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113233634

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide (CID 130718522) is (2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide is CNC(=O)[C@H](C)NC1CCC(C)(C)C1.
What is the InChIKey of (2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide?
The InChIKey is UKCXYHRBMQPDDZ-IENPIDJESA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(10(14)12-4)13-9-5-6-11(2,3)7-9/h8-9,13H,5-7H2,1-4H3,(H,12,14)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide?
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide is sourced from PubChem (CID 130718522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).