N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine

C15H32N2 — CID 79828517

IUPACN-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNC1CCCCC1(C)C
InChIInChI=1S/C15H32N2/c1-5-17(6-2)13-9-12-16-14-10-7-8-11-15(14,3)4/h14,16H,5-13H2,1-4H3
InChIKeyUNZBEEYOFWJXJA-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds7

About N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine

N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 79828517) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID79828517
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNC1CCCCC1(C)C
InChIInChI=1S/C15H32N2/c1-5-17(6-2)13-9-12-16-14-10-7-8-11-15(14,3)4/h14,16H,5-13H2,1-4H3
InChIKeyUNZBEEYOFWJXJA-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-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-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine (CID 79828517) is N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNC1CCCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is UNZBEEYOFWJXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-17(6-2)13-9-12-16-14-10-7-8-11-15(14,3)4/h14,16H,5-13H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine?
N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 79828517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).