2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine

C10H24N2OS — CID 61444381

IUPAC2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
SMILESCCN(CCOC)C(CN)CCSC
InChIInChI=1S/C10H24N2OS/c1-4-12(6-7-13-2)10(9-11)5-8-14-3/h10H,4-9,11H2,1-3H3
InChIKeyDZSIPAKLHIOPRX-UHFFFAOYSA-N
MW220.38 g/mol
LogP1.04
Rot. Bonds9

About 2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine

2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine (PubChem CID 61444381) has the molecular formula C10H24N2OS and a molecular weight of 220.38 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
PubChem CID61444381
Molecular FormulaC10H24N2OS
Molecular Weight220.38 g/mol
Exact Mass220.16
IUPAC Name2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
SMILESCCN(CCOC)C(CN)CCSC
InChIInChI=1S/C10H24N2OS/c1-4-12(6-7-13-2)10(9-11)5-8-14-3/h10H,4-9,11H2,1-3H3
InChIKeyDZSIPAKLHIOPRX-UHFFFAOYSA-N
XLogP1.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine (CID 61444381) is 2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine is CCN(CCOC)C(CN)CCSC.
What is the InChIKey of 2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The InChIKey is DZSIPAKLHIOPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2OS/c1-4-12(6-7-13-2)10(9-11)5-8-14-3/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine has a molecular weight of 220.38 g/mol, XLogP of 1.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine is sourced from PubChem (CID 61444381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).