2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine

C6H17N3S — CID 139337564

IUPAC2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine
SMILESCNCC(CN)(CN)SC
InChIInChI=1S/C6H17N3S/c1-9-5-6(3-7,4-8)10-2/h9H,3-5,7-8H2,1-2H3
InChIKeyLIXHYEBEOROLDH-UHFFFAOYSA-N
MW163.29 g/mol
LogP-0.77
Rot. Bonds5

About 2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine

2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine (PubChem CID 139337564) has the molecular formula C6H17N3S and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine
PubChem CID139337564
Molecular FormulaC6H17N3S
Molecular Weight163.29 g/mol
Exact Mass163.11
IUPAC Name2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine
SMILESCNCC(CN)(CN)SC
InChIInChI=1S/C6H17N3S/c1-9-5-6(3-7,4-8)10-2/h9H,3-5,7-8H2,1-2H3
InChIKeyLIXHYEBEOROLDH-UHFFFAOYSA-N
XLogP-0.77
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine?
The IUPAC name of 2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine (CID 139337564) is 2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine.
What is the SMILES notation for 2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine?
The canonical SMILES for 2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine is CNCC(CN)(CN)SC.
What is the InChIKey of 2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine?
The InChIKey is LIXHYEBEOROLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3S/c1-9-5-6(3-7,4-8)10-2/h9H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine?
2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine has a molecular weight of 163.29 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine is sourced from PubChem (CID 139337564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).