N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine

C18H30N2 — CID 43081939

IUPACN'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCCCC1NCCCN(C)Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-16-9-6-7-12-18(16)19-13-8-14-20(2)15-17-10-4-3-5-11-17/h3-5,10-11,16,18-19H,6-9,12-15H2,1-2H3
InChIKeyZETGRTJIZYRIIM-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.68
Rot. Bonds7

About N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine

N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine (PubChem CID 43081939) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
PubChem CID43081939
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCCCC1NCCCN(C)Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-16-9-6-7-12-18(16)19-13-8-14-20(2)15-17-10-4-3-5-11-17/h3-5,10-11,16,18-19H,6-9,12-15H2,1-2H3
InChIKeyZETGRTJIZYRIIM-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'}

Analyze N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
N'-benzyl-N-(2-bicyclo[2.2.1]heptanyl)-N'-methylpropane-1,3-diamine
CID 61308766
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
CID 54903001
4-[3-[benzyl(methyl)amino]propylamino]-1,1-dioxothiolan-3-ol
CID 60885293
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
N'-benzyl-N-(3,3-dimethylcyclopentyl)-N'-methylpropane-1,3-diamine
CID 80693376
1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea
CID 51111526
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923135
N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654308

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine (CID 43081939) is N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine is CC1CCCCC1NCCCN(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is ZETGRTJIZYRIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-16-9-6-7-12-18(16)19-13-8-14-20(2)15-17-10-4-3-5-11-17/h3-5,10-11,16,18-19H,6-9,12-15H2,1-2H3.
What are the key properties of N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine?
N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-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'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 43081939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).