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

C11H24N2OS — CID 61453540

IUPAC2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
SMILESCOCCN(C(CN)CCSC)C1CC1
InChIInChI=1S/C11H24N2OS/c1-14-7-6-13(10-3-4-10)11(9-12)5-8-15-2/h10-11H,3-9,12H2,1-2H3
InChIKeyFCWKEPBAEQUBNQ-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.18
Rot. Bonds9

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

2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine (PubChem CID 61453540) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
PubChem CID61453540
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
SMILESCOCCN(C(CN)CCSC)C1CC1
InChIInChI=1S/C11H24N2OS/c1-14-7-6-13(10-3-4-10)11(9-12)5-8-15-2/h10-11H,3-9,12H2,1-2H3
InChIKeyFCWKEPBAEQUBNQ-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine (CID 61453540) is 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine is COCCN(C(CN)CCSC)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
The InChIKey is FCWKEPBAEQUBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-14-7-6-13(10-3-4-10)11(9-12)5-8-15-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine?
2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine has a molecular weight of 232.39 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine is sourced from PubChem (CID 61453540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).