2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine

C10H24N2OS — CID 61453135

IUPAC2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)CCSC
InChIInChI=1S/C10H24N2OS/c1-9(8-13-3)12(2)10(7-11)5-6-14-4/h9-10H,5-8,11H2,1-4H3
InChIKeyLSULWCKPXDQQDW-UHFFFAOYSA-N
MW220.38 g/mol
LogP1.03
Rot. Bonds8

About 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine

2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine (PubChem CID 61453135) has the molecular formula C10H24N2OS and a molecular weight of 220.38 g/mol. Its IUPAC name is 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
PubChem CID61453135
Molecular FormulaC10H24N2OS
Molecular Weight220.38 g/mol
Exact Mass220.16
IUPAC Name2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)CCSC
InChIInChI=1S/C10H24N2OS/c1-9(8-13-3)12(2)10(7-11)5-6-14-4/h9-10H,5-8,11H2,1-4H3
InChIKeyLSULWCKPXDQQDW-UHFFFAOYSA-N
XLogP1.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The IUPAC name of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine (CID 61453135) is 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The canonical SMILES for 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine is COCC(C)N(C)C(CN)CCSC.
What is the InChIKey of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
The InChIKey is LSULWCKPXDQQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2OS/c1-9(8-13-3)12(2)10(7-11)5-6-14-4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine?
2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine has a molecular weight of 220.38 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-methylsulfanylbutane-1,2-diamine is sourced from PubChem (CID 61453135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).