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

C16H34N2S — CID 118585248

IUPACN'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCC(C)N(CCNCCSC)CC1CCCCC1
InChIInChI=1S/C16H34N2S/c1-4-15(2)18(12-10-17-11-13-19-3)14-16-8-6-5-7-9-16/h15-17H,4-14H2,1-3H3
InChIKeyMOEUTVPEGGRSLX-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.62
Rot. Bonds10

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

N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118585248) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118585248
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC NameN'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCC(C)N(CCNCCSC)CC1CCCCC1
InChIInChI=1S/C16H34N2S/c1-4-15(2)18(12-10-17-11-13-19-3)14-16-8-6-5-7-9-16/h15-17H,4-14H2,1-3H3
InChIKeyMOEUTVPEGGRSLX-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.62
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

4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 60663692
1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine
CID 67755255
N'-(cyclohexylmethyl)-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118584894
N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118584991
N'-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585077
N'-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585079
N-(cyclohexylmethyl)-N-methyl-N'-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine
CID 118585117
N'-(cyclohexylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585152
N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585202
N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 118585203
N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 118585204
N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585212

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118585248) is N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CCC(C)N(CCNCCSC)CC1CCCCC1.
What is the InChIKey of N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is MOEUTVPEGGRSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-4-15(2)18(12-10-17-11-13-19-3)14-16-8-6-5-7-9-16/h15-17H,4-14H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 286.53 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118585248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).