2-(2-methylundecan-2-ylsulfanyl)ethanamine

C14H31NS — CID 23451912

IUPAC2-(2-methylundecan-2-ylsulfanyl)ethanamine
SMILESCCCCCCCCCC(C)(C)SCCN
InChIInChI=1S/C14H31NS/c1-4-5-6-7-8-9-10-11-14(2,3)16-13-12-15/h4-13,15H2,1-3H3
InChIKeyWZPLMXIYUCFSCY-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.60
Rot. Bonds11

About 2-(2-methylundecan-2-ylsulfanyl)ethanamine

2-(2-methylundecan-2-ylsulfanyl)ethanamine (PubChem CID 23451912) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 2-(2-methylundecan-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylundecan-2-ylsulfanyl)ethanamine
PubChem CID23451912
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name2-(2-methylundecan-2-ylsulfanyl)ethanamine
SMILESCCCCCCCCCC(C)(C)SCCN
InChIInChI=1S/C14H31NS/c1-4-5-6-7-8-9-10-11-14(2,3)16-13-12-15/h4-13,15H2,1-3H3
InChIKeyWZPLMXIYUCFSCY-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-methylsulfanyltetradecane
CID 91802493
4,4-dimethyltridecan-1-amine
CID 172686024
3,3-dimethylpentadecan-1-amine
CID 81014127
2,2-dimethyloctan-1-amine
CID 62739423
4-pentadecylheptane-1,4,7-triamine
CID 156536321
2-undecylsulfanylethanamine
CID 57215239
4,4-dipentylnonan-1-amine
CID 88632324
2-methyloctane-1,2-diamine
CID 43519506
heptadecane-1,3,3-triamine
CID 88794313
5,5-dimethoxytetradecan-1-amine
CID 150037650
calcium;hexan-1-amine;difluoride
CID 160795934
11-methyl-11-nonylhenicosane
CID 19690388

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylundecan-2-ylsulfanyl)ethanamine?
The IUPAC name of 2-(2-methylundecan-2-ylsulfanyl)ethanamine (CID 23451912) is 2-(2-methylundecan-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-methylundecan-2-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-methylundecan-2-ylsulfanyl)ethanamine is CCCCCCCCCC(C)(C)SCCN.
What is the InChIKey of 2-(2-methylundecan-2-ylsulfanyl)ethanamine?
The InChIKey is WZPLMXIYUCFSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-4-5-6-7-8-9-10-11-14(2,3)16-13-12-15/h4-13,15H2,1-3H3.
What are the key properties of 2-(2-methylundecan-2-ylsulfanyl)ethanamine?
2-(2-methylundecan-2-ylsulfanyl)ethanamine has a molecular weight of 245.48 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylundecan-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 23451912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).