N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C16H29Cl2N3O — CID 119835669

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCCCN(C)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-14(12-17-2)16(20)18-10-7-11-19(3)13-15-8-5-4-6-9-15;;/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H,18,20);2*1H
InChIKeyCHDVXJDHQJGIHH-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.32
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119835669) has the molecular formula C16H29Cl2N3O and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119835669
Molecular FormulaC16H29Cl2N3O
Molecular Weight350.33 g/mol
Exact Mass349.17
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCCCN(C)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-14(12-17-2)16(20)18-10-7-11-19(3)13-15-8-5-4-6-9-15;;/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H,18,20);2*1H
InChIKeyCHDVXJDHQJGIHH-UHFFFAOYSA-N
XLogP2.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119885715
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide
CID 43089029
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867796
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
1-[3-[benzyl(methyl)amino]propyl]-3-(2,2,2-trifluoroethyl)urea
CID 115582781
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119862556
1-[3-[benzyl(methyl)amino]propyl]-3-tert-butylurea
CID 115573375
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902437

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119835669) is N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)NCCCN(C)Cc1ccccc1.Cl.Cl.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is CHDVXJDHQJGIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.2ClH/c1-14(12-17-2)16(20)18-10-7-11-19(3)13-15-8-5-4-6-9-15;;/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 350.33 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119835669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).