4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine

C11H24N2OS — CID 116504217

IUPAC4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine
SMILESCCSCCC(CN)N(C)C1CCOC1
InChIInChI=1S/C11H24N2OS/c1-3-15-7-5-10(8-12)13(2)11-4-6-14-9-11/h10-11H,3-9,12H2,1-2H3
InChIKeyXSNATNUPFMCVIB-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.18
Rot. Bonds7

About 4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine

4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine (PubChem CID 116504217) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine
PubChem CID116504217
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine
SMILESCCSCCC(CN)N(C)C1CCOC1
InChIInChI=1S/C11H24N2OS/c1-3-15-7-5-10(8-12)13(2)11-4-6-14-9-11/h10-11H,3-9,12H2,1-2H3
InChIKeyXSNATNUPFMCVIB-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(1-ethylpiperidin-4-yl)-4-ethylsulfanyl-2-N-methylbutane-1,2-diamine
CID 116504059
3-N-methyl-3-N-(oxolan-3-yl)butane-1,3-diamine
CID 63556588
4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 116504029
3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol
CID 116504528
4-amino-N-cyclopropyl-3-[methyl(oxolan-3-yl)amino]butanamide
CID 82735649
3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid
CID 82734246
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
3-N-methyl-3-N-(oxolan-3-yl)heptane-3,4-diamine
CID 82734873
4-ethylsulfanyl-2-N,2-N-dipropylbutane-1,2-diamine
CID 116503935
1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82753910
4-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748967
3-[methyl(oxolan-3-yl)amino]butanethioamide
CID 63557973

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine?
The IUPAC name of 4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine (CID 116504217) is 4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine is CCSCCC(CN)N(C)C1CCOC1.
What is the InChIKey of 4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine?
The InChIKey is XSNATNUPFMCVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-15-7-5-10(8-12)13(2)11-4-6-14-9-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine?
4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine has a molecular weight of 232.39 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 116504217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).