N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine

C14H30N2 — CID 112682555

IUPACN,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine
SMILESCNCCN(C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-13(2)9-12(10-14(3,4)11-13)16(6)8-7-15-5/h12,15H,7-11H2,1-6H3
InChIKeyXXWJPAILWWKMDK-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds4

About N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine

N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine (PubChem CID 112682555) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine
PubChem CID112682555
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine
SMILESCNCCN(C)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-13(2)9-12(10-14(3,4)11-13)16(6)8-7-15-5/h12,15H,7-11H2,1-6H3
InChIKeyXXWJPAILWWKMDK-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-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'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine
CID 158648176
N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane
CID 145029071
N,N'-dimethyl-N'-(3-methylcyclopentyl)ethane-1,2-diamine
CID 64514284
1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106077353
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080762
N-methyl-N'-(3-methylphenyl)-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine
CID 158136489
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
N'-methyl-N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 62681490
4-N,6-dimethyl-2-N-(3,3,5,5-tetramethylcyclohexyl)-2-N-[6-[(3,3,5,5-tetramethylcyclohexyl)amino]hexyl]-1,3,5-triazine-2,4-diamine;N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine;octane
CID 158648175
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide
CID 143130080

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine (CID 112682555) is N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine is CNCCN(C)C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine?
The InChIKey is XXWJPAILWWKMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2)9-12(10-14(3,4)11-13)16(6)8-7-15-5/h12,15H,7-11H2,1-6H3.
What are the key properties of N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 112682555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).