1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine

C13H27NS — CID 64632835

IUPAC1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine
SMILESCNC(CSC1CCCCC1)C(C)(C)C
InChIInChI=1S/C13H27NS/c1-13(2,3)12(14-4)10-15-11-8-6-5-7-9-11/h11-12,14H,5-10H2,1-4H3
InChIKeyGQRJQMOYEWSWOD-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.69
Rot. Bonds4

About 1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine

1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine (PubChem CID 64632835) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine
PubChem CID64632835
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine
SMILESCNC(CSC1CCCCC1)C(C)(C)C
InChIInChI=1S/C13H27NS/c1-13(2,3)12(14-4)10-15-11-8-6-5-7-9-11/h11-12,14H,5-10H2,1-4H3
InChIKeyGQRJQMOYEWSWOD-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64625936
1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 65140058
1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
CID 65139959
2-cyclohexylsulfanyl-N-methylethanamine
CID 46741497
1-cyclohexylsulfanylpropane-2-thiol
CID 57273341
1-cyclohexylsulfanylpropan-2-ylhydrazine
CID 105227877
1-cyclohexylsulfanyl-N-methyloctan-2-amine
CID 65139910
2,2-dimethoxyethylsulfanylcyclohexane
CID 66221293
1-cyclohexylsulfanyl-N-methyl-3-propoxypropan-2-amine
CID 79575231
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(cyclohexylsulfanyl)butan-2-yl]oxy-dimethylsilane
CID 101186688
1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 104755747
1-cyclopentylsulfanyl-N-methyloctan-2-amine
CID 65138560

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine (CID 64632835) is 1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine is CNC(CSC1CCCCC1)C(C)(C)C.
What is the InChIKey of 1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine?
The InChIKey is GQRJQMOYEWSWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-13(2,3)12(14-4)10-15-11-8-6-5-7-9-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine?
1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine has a molecular weight of 229.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 64632835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).