N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride

C15H27Cl2N3O — CID 119660207

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
SMILESCc1ccc(CC(=O)N(C)CCC(N)C(C)C)cn1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-11(2)14(16)7-8-18(4)15(19)9-13-6-5-12(3)17-10-13;;/h5-6,10-11,14H,7-9,16H2,1-4H3;2*1H
InChIKeyXHGMEOMTXAPOLE-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.61
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride (PubChem CID 119660207) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
PubChem CID119660207
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
SMILESCc1ccc(CC(=O)N(C)CCC(N)C(C)C)cn1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-11(2)14(16)7-8-18(4)15(19)9-13-6-5-12(3)17-10-13;;/h5-6,10-11,14H,7-9,16H2,1-4H3;2*1H
InChIKeyXHGMEOMTXAPOLE-UHFFFAOYSA-N
XLogP2.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
CID 119659943
N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119660409
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
N-(3-amino-4-methylpentyl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 81484328
N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 95967296
N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119659375
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119657249

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride (CID 119660207) is N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride is Cc1ccc(CC(=O)N(C)CCC(N)C(C)C)cn1.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride?
The InChIKey is XHGMEOMTXAPOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-11(2)14(16)7-8-18(4)15(19)9-13-6-5-12(3)17-10-13;;/h5-6,10-11,14H,7-9,16H2,1-4H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride is sourced from PubChem (CID 119660207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).