N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine

C13H28N2S — CID 103071342

IUPACN-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)C(C)CCSC
InChIInChI=1S/C13H28N2S/c1-11(2)14-9-12(3)10-15(5)13(4)7-8-16-6/h11,13-14H,3,7-10H2,1-2,4-6H3
InChIKeyJXKNMVRPLQDTJG-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.61
Rot. Bonds9

About N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine

N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 103071342) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID103071342
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(CNC(C)C)CN(C)C(C)CCSC
InChIInChI=1S/C13H28N2S/c1-11(2)14-9-12(3)10-15(5)13(4)7-8-16-6/h11,13-14H,3,7-10H2,1-2,4-6H3
InChIKeyJXKNMVRPLQDTJG-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.61
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-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069854
N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide
CID 104876505
3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine
CID 112665568
2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 115773348
N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069497
2-methylidene-N-(2-methylpropyl)-N-pentan-3-yl-N'-propan-2-ylpropane-1,3-diamine
CID 103070964
2-(3-methylbutylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 107754180
N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070057
2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 71911978
2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 112665572
N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 103071191
N-(2-ethoxyethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070650

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine (CID 103071342) is N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine is C=C(CNC(C)C)CN(C)C(C)CCSC.
What is the InChIKey of N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is JXKNMVRPLQDTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-11(2)14-9-12(3)10-15(5)13(4)7-8-16-6/h11,13-14H,3,7-10H2,1-2,4-6H3.
What are the key properties of N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine?
N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 244.45 g/mol, XLogP of 2.61, 9 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-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 103071342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).