2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide

C17H27N3O — CID 43089275

IUPAC2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide
SMILESCC(NCCCN(C)Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C17H27N3O/c1-14(17(21)19-16-9-10-16)18-11-6-12-20(2)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3,(H,19,21)
InChIKeyDWFSEQQHNZQFCS-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.77
Rot. Bonds9

About 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide

2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide (PubChem CID 43089275) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide
PubChem CID43089275
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide
SMILESCC(NCCCN(C)Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C17H27N3O/c1-14(17(21)19-16-9-10-16)18-11-6-12-20(2)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3,(H,19,21)
InChIKeyDWFSEQQHNZQFCS-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.77
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

2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide
CID 43089029
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
CID 28577554
N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine
CID 115707813
N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide
CID 107703590
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711
N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
CID 54903001
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511124
N-cyclopropyl-2-(3-fluoropropylamino)propanamide
CID 115731798

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide (CID 43089275) is 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide is CC(NCCCN(C)Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide?
The InChIKey is DWFSEQQHNZQFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(17(21)19-16-9-10-16)18-11-6-12-20(2)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide?
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 43089275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).