N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C15H31ClN2O — CID 119791225

IUPACN-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)CCC1CCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-12(11-16-3)15(18)17-13(2)9-10-14-7-5-4-6-8-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H
InChIKeyRBDAFSCBZFGVKJ-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.13
Rot. Bonds7

About N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119791225) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119791225
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC NameN-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)CCC1CCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-12(11-16-3)15(18)17-13(2)9-10-14-7-5-4-6-8-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H
InChIKeyRBDAFSCBZFGVKJ-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782455
N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
CID 81385876
(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
CID 119327911
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
CID 119863256
2-amino-N-(4-cyclohexylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793833
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
CID 79195498
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
CID 115706807
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119791225) is N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(C)CCC1CCCCC1.Cl.
What is the InChIKey of N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is RBDAFSCBZFGVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-12(11-16-3)15(18)17-13(2)9-10-14-7-5-4-6-8-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119791225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).