N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine

C17H36N2O — CID 78871100

IUPACN-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
SMILESCOCCN(C)CCCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-17(2,3)15-7-9-16(10-8-15)18-11-6-12-19(4)13-14-20-5/h15-16,18H,6-14H2,1-5H3
InChIKeyIXJQYRWJLVCZKD-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds8

About N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine

N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine (PubChem CID 78871100) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
PubChem CID78871100
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
SMILESCOCCN(C)CCCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-17(2,3)15-7-9-16(10-8-15)18-11-6-12-19(4)13-14-20-5/h15-16,18H,6-14H2,1-5H3
InChIKeyIXJQYRWJLVCZKD-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-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

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine (CID 78871100) is N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine is COCCN(C)CCCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is IXJQYRWJLVCZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-17(2,3)15-7-9-16(10-8-15)18-11-6-12-19(4)13-14-20-5/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine?
N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 78871100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).