N,N-dimethyl-2-tetradecylsulfanylethanamine

C18H39NS — CID 121392154

IUPACN,N-dimethyl-2-tetradecylsulfanylethanamine
SMILESCCCCCCCCCCCCCCSCCN(C)C
InChIInChI=1S/C18H39NS/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19(2)3/h4-18H2,1-3H3
InChIKeyTZABXGSMVKZCOE-UHFFFAOYSA-N
MW301.58 g/mol
LogP5.98
Rot. Bonds16

About N,N-dimethyl-2-tetradecylsulfanylethanamine

N,N-dimethyl-2-tetradecylsulfanylethanamine (PubChem CID 121392154) has the molecular formula C18H39NS and a molecular weight of 301.58 g/mol. Its IUPAC name is N,N-dimethyl-2-tetradecylsulfanylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-tetradecylsulfanylethanamine
PubChem CID121392154
Molecular FormulaC18H39NS
Molecular Weight301.58 g/mol
Exact Mass301.28
IUPAC NameN,N-dimethyl-2-tetradecylsulfanylethanamine
SMILESCCCCCCCCCCCCCCSCCN(C)C
InChIInChI=1S/C18H39NS/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19(2)3/h4-18H2,1-3H3
InChIKeyTZABXGSMVKZCOE-UHFFFAOYSA-N
XLogP5.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.58
LogP ≤ 55.98
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-tetradecylsulfanylethanamine?
The IUPAC name of N,N-dimethyl-2-tetradecylsulfanylethanamine (CID 121392154) is N,N-dimethyl-2-tetradecylsulfanylethanamine.
What is the SMILES notation for N,N-dimethyl-2-tetradecylsulfanylethanamine?
The canonical SMILES for N,N-dimethyl-2-tetradecylsulfanylethanamine is CCCCCCCCCCCCCCSCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-tetradecylsulfanylethanamine?
The InChIKey is TZABXGSMVKZCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NS/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19(2)3/h4-18H2,1-3H3.
What are the key properties of N,N-dimethyl-2-tetradecylsulfanylethanamine?
N,N-dimethyl-2-tetradecylsulfanylethanamine has a molecular weight of 301.58 g/mol, XLogP of 5.98, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-tetradecylsulfanylethanamine is sourced from PubChem (CID 121392154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).