N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C12H25ClN2O — CID 119782455

IUPACN-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)C1CCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(8-13-3)12(15)14-10(2)11-6-4-5-7-11;/h9-11,13H,4-8H2,1-3H3,(H,14,15);1H
InChIKeyFRYXGQDAOWFZFX-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.96
Rot. Bonds5

About N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119782455) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119782455
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)C1CCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(8-13-3)12(15)14-10(2)11-6-4-5-7-11;/h9-11,13H,4-8H2,1-3H3,(H,14,15);1H
InChIKeyFRYXGQDAOWFZFX-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
CID 81385876
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
2-methyl-3-(methylamino)-N-(3-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 119775861
(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119782455) is N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(C)C1CCCC1.Cl.
What is the InChIKey of N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is FRYXGQDAOWFZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(8-13-3)12(15)14-10(2)11-6-4-5-7-11;/h9-11,13H,4-8H2,1-3H3,(H,14,15);1H.
What are the key properties of N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119782455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).