N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

C13H28N2S — CID 118585152

IUPACN'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(C)CC1CCCCC1
InChIInChI=1S/C13H28N2S/c1-15(10-8-14-9-11-16-2)12-13-6-4-3-5-7-13/h13-14H,3-12H2,1-2H3
InChIKeyUFFBAFOWXIGJSQ-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.45
Rot. Bonds8

About N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine

N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118585152) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118585152
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(C)CC1CCCCC1
InChIInChI=1S/C13H28N2S/c1-15(10-8-14-9-11-16-2)12-13-6-4-3-5-7-13/h13-14H,3-12H2,1-2H3
InChIKeyUFFBAFOWXIGJSQ-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Cyclohexylmethyl)[2-(dimethylamino)ethyl]amine
CID 16776440
N'-(cyclohexylmethyl)-N,N'-diethylethane-1,2-diamine
CID 10656202
2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 12017335
(Cyclohexylmethyl)[2-(diethylamino)ethyl]amine
CID 17159646
2-cyclohexyl-N-[2-(methylthio) ethyl]-ethylamine hydrochloride
CID 22723059
N1-(Cyclohexylmethyl)-N1,N2-dimethylethane-1,2-diamine
CID 43374432
1-N'-(cyclohexylmethyl)-2-methylsulfanylethane-1,1-diamine
CID 57198973
N-(cyclohexylmethyl)-2-methylsulfanylethanamine
CID 60663628
4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 60663692
N'-(cyclopentylmethyl)-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118584893
N'-(cyclohexylmethyl)-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118584894
N'-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585077

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118585152) is N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCNCCN(C)CC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is UFFBAFOWXIGJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-15(10-8-14-9-11-16-2)12-13-6-4-3-5-7-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 244.45 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118585152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).