N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride

C15H33Cl2N3O — CID 119590156

IUPACN-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
SMILESCC(C)C(C(=O)NC(CN)C1CCCCC1)N(C)C.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-11(2)14(18(3)4)15(19)17-13(10-16)12-8-6-5-7-9-12;;/h11-14H,5-10,16H2,1-4H3,(H,17,19);2*1H
InChIKeyMLRPPRKVLCYVMG-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.44
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride (PubChem CID 119590156) has the molecular formula C15H33Cl2N3O and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
PubChem CID119590156
Molecular FormulaC15H33Cl2N3O
Molecular Weight342.36 g/mol
Exact Mass341.20
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
SMILESCC(C)C(C(=O)NC(CN)C1CCCCC1)N(C)C.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-11(2)14(18(3)4)15(19)17-13(10-16)12-8-6-5-7-9-12;;/h11-14H,5-10,16H2,1-4H3,(H,17,19);2*1H
InChIKeyMLRPPRKVLCYVMG-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,3-dimethylbutanamide
CID 65188578
N-(2-amino-1-cyclopentylethyl)-2-(dimethylamino)acetamide
CID 106737390
2-(aminomethyl)-N-(1-cyclohexylpropyl)-3-methylbutanamide
CID 62406666
N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119590776
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
CID 119035659
ethyl N-(2-amino-1-cyclooctylethyl)carbamate
CID 114207874
N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119591130
N-(2-amino-1-cyclohexylethyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide;hydrochloride
CID 119591097
N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119591807

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride (CID 119590156) is N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride is CC(C)C(C(=O)NC(CN)C1CCCCC1)N(C)C.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride?
The InChIKey is MLRPPRKVLCYVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.2ClH/c1-11(2)14(18(3)4)15(19)17-13(10-16)12-8-6-5-7-9-12;;/h11-14H,5-10,16H2,1-4H3,(H,17,19);2*1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride has a molecular weight of 342.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride is sourced from PubChem (CID 119590156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).