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

C17H34N2S — CID 118585202

IUPACN'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(CC1CCCCC1)C1CCCC1
InChIInChI=1S/C17H34N2S/c1-20-14-12-18-11-13-19(17-9-5-6-10-17)15-16-7-3-2-4-8-16/h16-18H,2-15H2,1H3
InChIKeyUTXYKYHKXSVASB-UHFFFAOYSA-N
MW298.54 g/mol
LogP3.76
Rot. Bonds9

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

N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118585202) has the molecular formula C17H34N2S and a molecular weight of 298.54 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118585202
Molecular FormulaC17H34N2S
Molecular Weight298.54 g/mol
Exact Mass298.24
IUPAC NameN'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(CC1CCCCC1)C1CCCC1
InChIInChI=1S/C17H34N2S/c1-20-14-12-18-11-13-19(17-9-5-6-10-17)15-16-7-3-2-4-8-16/h16-18H,2-15H2,1H3
InChIKeyUTXYKYHKXSVASB-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118585202) is N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCNCCN(CC1CCCCC1)C1CCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is UTXYKYHKXSVASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2S/c1-20-14-12-18-11-13-19(17-9-5-6-10-17)15-16-7-3-2-4-8-16/h16-18H,2-15H2,1H3.
What are the key properties of N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 298.54 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118585202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).