3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine

C11H26N2S — CID 112665568

IUPAC3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine
SMILESCSCCN(C)C(C)CCNC(C)C
InChIInChI=1S/C11H26N2S/c1-10(2)12-7-6-11(3)13(4)8-9-14-5/h10-12H,6-9H2,1-5H3
InChIKeyFGYJNQDRVPEHGP-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.06
Rot. Bonds8

About 3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine

3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 112665568) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID112665568
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC Name3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine
SMILESCSCCN(C)C(C)CCNC(C)C
InChIInChI=1S/C11H26N2S/c1-10(2)12-7-6-11(3)13(4)8-9-14-5/h10-12H,6-9H2,1-5H3
InChIKeyFGYJNQDRVPEHGP-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine (CID 112665568) is 3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine is CSCCN(C)C(C)CCNC(C)C.
What is the InChIKey of 3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is FGYJNQDRVPEHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-10(2)12-7-6-11(3)13(4)8-9-14-5/h10-12H,6-9H2,1-5H3.
What are the key properties of 3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine?
3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 218.41 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 112665568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).