N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine

C15H30N2S — CID 112666118

IUPACN-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(CSC)N(C)CCNC(C1CC1)C1CC1
InChIInChI=1S/C15H30N2S/c1-4-14(11-18-3)17(2)10-9-16-15(12-5-6-12)13-7-8-13/h12-16H,4-11H2,1-3H3
InChIKeyPSLFILWQSYUZTO-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.84
Rot. Bonds10

About N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine

N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine (PubChem CID 112666118) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
PubChem CID112666118
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC NameN-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(CSC)N(C)CCNC(C1CC1)C1CC1
InChIInChI=1S/C15H30N2S/c1-4-14(11-18-3)17(2)10-9-16-15(12-5-6-12)13-7-8-13/h12-16H,4-11H2,1-3H3
InChIKeyPSLFILWQSYUZTO-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 63725313
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112665719
N-(dicyclopropylmethyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 81067870
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-methylsulfanylbutan-2-yl)pentane-1,3-diamine
CID 112664841
N-(dicyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 55090020
N'-(cyclopropylmethyl)-N-(dicyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 63941075
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine
CID 112665724
N-(dicyclopropylmethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067423
N'-cyclohexyl-N-(dicyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 62575722
N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107871429
N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940
N-(dicyclopropylmethyl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
CID 62553647

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine (CID 112666118) is N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine is CCC(CSC)N(C)CCNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is PSLFILWQSYUZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-4-14(11-18-3)17(2)10-9-16-15(12-5-6-12)13-7-8-13/h12-16H,4-11H2,1-3H3.
What are the key properties of N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine?
N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 270.49 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112666118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).