N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine

C14H28N2S — CID 62561683

IUPACN'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine
SMILESCC1CCCC(NCCN(C)C2CCSC2)C1
InChIInChI=1S/C14H28N2S/c1-12-4-3-5-13(10-12)15-7-8-16(2)14-6-9-17-11-14/h12-15H,3-11H2,1-2H3
InChIKeyKGKBWQMACUJCOP-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds5

About N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine

N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 62561683) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID62561683
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine
SMILESCC1CCCC(NCCN(C)C2CCSC2)C1
InChIInChI=1S/C14H28N2S/c1-12-4-3-5-13(10-12)15-7-8-16(2)14-6-9-17-11-14/h12-15H,3-11H2,1-2H3
InChIKeyKGKBWQMACUJCOP-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)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

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine (CID 62561683) is N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine is CC1CCCC(NCCN(C)C2CCSC2)C1.
What is the InChIKey of N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is KGKBWQMACUJCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-12-4-3-5-13(10-12)15-7-8-16(2)14-6-9-17-11-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine?
N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 62561683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).