N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine

C10H22N2S — CID 62975902

IUPACN'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
SMILESCSCCCNCCN(C)C1CC1
InChIInChI=1S/C10H22N2S/c1-12(10-4-5-10)8-7-11-6-3-9-13-2/h10-11H,3-9H2,1-2H3
InChIKeyUUAZAWGAVLXAJT-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds8

About N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine (PubChem CID 62975902) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
PubChem CID62975902
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
SMILESCSCCCNCCN(C)C1CC1
InChIInChI=1S/C10H22N2S/c1-12(10-4-5-10)8-7-11-6-3-9-13-2/h10-11H,3-9H2,1-2H3
InChIKeyUUAZAWGAVLXAJT-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.42
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-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid
CID 62977588
tert-butyl N-cyclopropyl-N-[2-(3-methylsulfanylpropylamino)ethyl]carbamate
CID 107246302
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 28615454
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
CID 62560454
N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 113326351
N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
CID 103087969
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097
N'-benzyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 131207952
N'-cyclopropyl-N'-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 62976641
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine (CID 62975902) is N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine is CSCCCNCCN(C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine?
The InChIKey is UUAZAWGAVLXAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-12(10-4-5-10)8-7-11-6-3-9-13-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62975902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).