N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine

C11H26N2S — CID 118585010

IUPACN-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCCSC)C(C)C
InChIInChI=1S/C11H26N2S/c1-5-8-13(11(2)3)9-6-12-7-10-14-4/h11-12H,5-10H2,1-4H3
InChIKeyAWMHSAAJROTNOZ-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.06
Rot. Bonds9

About N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine

N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine (PubChem CID 118585010) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
PubChem CID118585010
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC NameN-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCCSC)C(C)C
InChIInChI=1S/C11H26N2S/c1-5-8-13(11(2)3)9-6-12-7-10-14-4/h11-12H,5-10H2,1-4H3
InChIKeyAWMHSAAJROTNOZ-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.06
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-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine (CID 118585010) is N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine is CCCN(CCNCCSC)C(C)C.
What is the InChIKey of N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The InChIKey is AWMHSAAJROTNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-5-8-13(11(2)3)9-6-12-7-10-14-4/h11-12H,5-10H2,1-4H3.
What are the key properties of N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine has a molecular weight of 218.41 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 118585010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).