N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine

C8H18N2S — CID 103071183

IUPACN'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine
SMILESC=C(CN)CN(C)CCSC
InChIInChI=1S/C8H18N2S/c1-8(6-9)7-10(2)4-5-11-3/h1,4-7,9H2,2-3H3
InChIKeyPUTZMTUEQPTHNK-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.80
Rot. Bonds6

About N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine

N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine (PubChem CID 103071183) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine
PubChem CID103071183
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine
SMILESC=C(CN)CN(C)CCSC
InChIInChI=1S/C8H18N2S/c1-8(6-9)7-10(2)4-5-11-3/h1,4-7,9H2,2-3H3
InChIKeyPUTZMTUEQPTHNK-UHFFFAOYSA-N
XLogP0.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylsulfanylethyl)-2-methylprop-2-en-1-amine
CID 60061029
2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 63967567
2-(methylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 103068393
2-[2-(diethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine
CID 103068645
2-[2-(diethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine
CID 103068646
2-[2-(Diethylamino)ethylsulfanylmethyl]prop-2-en-1-amine
CID 103068649
2-[2-(diethylamino)ethylsulfanylmethyl]-N-ethylprop-2-en-1-amine
CID 103068650
2-[2-(dimethylamino)ethylsulfanylmethyl]-N-propylprop-2-en-1-amine
CID 103068677
2-[2-(dimethylamino)ethylsulfanylmethyl]-N-methylprop-2-en-1-amine
CID 103068678
2-[2-(Dimethylamino)ethylsulfanylmethyl]prop-2-en-1-amine
CID 103068681
2-[2-(dimethylamino)ethylsulfanylmethyl]-N-ethylprop-2-en-1-amine
CID 103068682
N-methyl-2-(thiomorpholin-4-ylmethyl)prop-2-en-1-amine
CID 103069163

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine (CID 103071183) is N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine is C=C(CN)CN(C)CCSC.
What is the InChIKey of N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine?
The InChIKey is PUTZMTUEQPTHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-8(6-9)7-10(2)4-5-11-3/h1,4-7,9H2,2-3H3.
What are the key properties of N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine?
N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine has a molecular weight of 174.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-methylidene-N'-(2-methylsulfanylethyl)propane-1,3-diamine is sourced from PubChem (CID 103071183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).