2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine

C19H41NS — CID 129121245

IUPAC2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine
SMILESCCCCCCCC(C)(CCCC)CCSCCN(C)C
InChIInChI=1S/C19H41NS/c1-6-8-10-11-12-14-19(3,13-9-7-2)15-17-21-18-16-20(4)5/h6-18H2,1-5H3
InChIKeyCCRDBNRUDUGQHJ-UHFFFAOYSA-N
MW315.61 g/mol
LogP6.23
Rot. Bonds15

About 2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine

2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine (PubChem CID 129121245) has the molecular formula C19H41NS and a molecular weight of 315.61 g/mol. Its IUPAC name is 2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine
PubChem CID129121245
Molecular FormulaC19H41NS
Molecular Weight315.61 g/mol
Exact Mass315.30
IUPAC Name2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine
SMILESCCCCCCCC(C)(CCCC)CCSCCN(C)C
InChIInChI=1S/C19H41NS/c1-6-8-10-11-12-14-19(3,13-9-7-2)15-17-21-18-16-20(4)5/h6-18H2,1-5H3
InChIKeyCCRDBNRUDUGQHJ-UHFFFAOYSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.61
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane
CID 91482705
N-methyl-N-[1-[4-methyl-4-(2-methylpropyl)octyl]sulfanylpropyl]butan-1-amine
CID 123345204
2-(3-ethyl-3-methylnonyl)sulfanyl-N,N-dimethylethanamine
CID 129124810
N,N-diethyl-2-(2-hexyl-2-methylnonyl)sulfanylethanamine
CID 134332053
4,4-Dimethyloctane;ethane;4-methylthiomorpholine
CID 144947041
N-[2-(3,7-dimethyloctylsulfanyl)ethyl]-N-propylpropan-1-amine
CID 155023428
2-(3-butyl-3-methylheptyl)sulfanyl-N,N-dimethylethanamine
CID 155140542
N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine
CID 163268442
N,N-dimethyl-2-(2-propylhexylsulfanyl)ethanamine
CID 163268457
(4R)-N,N,10-trimethyl-4-propyl-8-propylsulfanylundecan-1-amine
CID 166930899
2-[7-[2-(dimethylamino)ethylsulfanyl]-4,8-dimethylnonan-3-yl]sulfanyl-N,N-dimethylethanamine
CID 167035324
N-methyl-N-(2-methyl-2-pentyloctyl)sulfanylethanamine
CID 169619698

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine (CID 129121245) is 2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine is CCCCCCCC(C)(CCCC)CCSCCN(C)C.
What is the InChIKey of 2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine?
The InChIKey is CCRDBNRUDUGQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NS/c1-6-8-10-11-12-14-19(3,13-9-7-2)15-17-21-18-16-20(4)5/h6-18H2,1-5H3.
What are the key properties of 2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine?
2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine has a molecular weight of 315.61 g/mol, XLogP of 6.23, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-3-methyldecyl)sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 129121245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).