N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide

C13H26N2O2 — CID 119817819

IUPACN-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC1(CCO)CCCC1
InChIInChI=1S/C13H26N2O2/c1-11(9-14-2)12(17)15-10-13(7-8-16)5-3-4-6-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyCJCNVHPBEKDEQP-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.90
Rot. Bonds7

About N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide

N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119817819) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119817819
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC1(CCO)CCCC1
InChIInChI=1S/C13H26N2O2/c1-11(9-14-2)12(17)15-10-13(7-8-16)5-3-4-6-13/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyCJCNVHPBEKDEQP-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 103810906
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119820324
N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119817808
(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
CID 104969427
(2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide
CID 97244080
2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114756823
1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 109499933
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
1-amino-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119817790
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119885266
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide (CID 119817819) is N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCC1(CCO)CCCC1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is CJCNVHPBEKDEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(9-14-2)12(17)15-10-13(7-8-16)5-3-4-6-13/h11,14,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide?
N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 242.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119817819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).