N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine

C18H30N2 — CID 80693376

IUPACN'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1CCC(C)(C)C1)Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-18(2)11-10-17(14-18)19-12-7-13-20(3)15-16-8-5-4-6-9-16/h4-6,8-9,17,19H,7,10-15H2,1-3H3
InChIKeyCHRXYOUXRJAGFG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.68
Rot. Bonds7

About N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine

N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine (PubChem CID 80693376) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine
PubChem CID80693376
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1CCC(C)(C)C1)Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-18(2)11-10-17(14-18)19-12-7-13-20(3)15-16-8-5-4-6-9-16/h4-6,8-9,17,19H,7,10-15H2,1-3H3
InChIKeyCHRXYOUXRJAGFG-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.68
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

N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
CID 54903001
N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
[(3,3-dimethylcyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 115881162
N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
CID 43081939
N'-benzyl-N-(2-bicyclo[2.2.1]heptanyl)-N'-methylpropane-1,3-diamine
CID 61308766
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine
CID 115707813
N'-benzyl-N'-methyl-N-(thietan-3-yl)ethane-1,2-diamine
CID 131036276
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol
CID 104537039

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine (CID 80693376) is N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine is CN(CCCNC1CCC(C)(C)C1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine?
The InChIKey is CHRXYOUXRJAGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2)11-10-17(14-18)19-12-7-13-20(3)15-16-8-5-4-6-9-16/h4-6,8-9,17,19H,7,10-15H2,1-3H3.
What are the key properties of N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine?
N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 80693376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).