N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride

C15H32ClN3O2 — CID 119660529

IUPACN-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(C)C)C(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C15H31N3O2.ClH/c1-10(2)12(16)8-9-18(7)13(19)11(3)17-14(20)15(4,5)6;/h10-12H,8-9,16H2,1-7H3,(H,17,20);1H
InChIKeyQVQRLDAZFMZDOX-UHFFFAOYSA-N
MW321.89 g/mol
LogP1.79
Rot. Bonds6

About N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride

N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119660529) has the molecular formula C15H32ClN3O2 and a molecular weight of 321.89 g/mol. Its IUPAC name is N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119660529
Molecular FormulaC15H32ClN3O2
Molecular Weight321.89 g/mol
Exact Mass321.22
IUPAC NameN-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(C)C)C(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C15H31N3O2.ClH/c1-10(2)12(16)8-9-18(7)13(19)11(3)17-14(20)15(4,5)6;/h10-12H,8-9,16H2,1-7H3,(H,17,20);1H
InChIKeyQVQRLDAZFMZDOX-UHFFFAOYSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.89
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(carbamoylamino)-N-methylpropanamide
CID 119658379
N-(3-amino-4-methylpentyl)-2-methoxy-N-methylpropanamide
CID 115737860
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 119656130
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119659545
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119498705
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
CID 81483985
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
CID 115317522
N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119660642

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride (CID 119660529) is N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride is CC(NC(=O)C(C)(C)C)C(=O)N(C)CCC(N)C(C)C.Cl.
What is the InChIKey of N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is QVQRLDAZFMZDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2.ClH/c1-10(2)12(16)8-9-18(7)13(19)11(3)17-14(20)15(4,5)6;/h10-12H,8-9,16H2,1-7H3,(H,17,20);1H.
What are the key properties of N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 321.89 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119660529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).