N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine

C17H28N2 — CID 115707813

IUPACN'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine
SMILESCC(CC1CC1)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-15(13-16-9-10-16)18-11-6-12-19(2)14-17-7-4-3-5-8-17/h3-5,7-8,15-16,18H,6,9-14H2,1-2H3
InChIKeyDFYAEHWOPJYFAI-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.29
Rot. Bonds9

About N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine

N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 115707813) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID115707813
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine
SMILESCC(CC1CC1)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-15(13-16-9-10-16)18-11-6-12-19(2)14-17-7-4-3-5-8-17/h3-5,7-8,15-16,18H,6,9-14H2,1-2H3
InChIKeyDFYAEHWOPJYFAI-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopropylpropanamide
CID 43089275
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711
2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide
CID 43089029
1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
CID 115705957
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
CID 54903001
N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine
CID 80693376
1-[3-[benzyl(methyl)amino]propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111870458
N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
CID 43081939
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine (CID 115707813) is N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine is CC(CC1CC1)NCCCN(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is DFYAEHWOPJYFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15(13-16-9-10-16)18-11-6-12-19(2)14-17-7-4-3-5-8-17/h3-5,7-8,15-16,18H,6,9-14H2,1-2H3.
What are the key properties of N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine?
N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115707813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).