[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine

C16H33NS — CID 43530062

IUPAC[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(SC(C)(C)C)C1
InChIInChI=1S/C16H33NS/c1-7-16(5,6)13-9-8-12(11-17)14(10-13)18-15(2,3)4/h12-14H,7-11,17H2,1-6H3
InChIKeyCSVBJAWWAHERBO-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.70
Rot. Bonds4

About [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine

[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine (PubChem CID 43530062) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
PubChem CID43530062
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC Name[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(SC(C)(C)C)C1
InChIInChI=1S/C16H33NS/c1-7-16(5,6)13-9-8-12(11-17)14(10-13)18-15(2,3)4/h12-14H,7-11,17H2,1-6H3
InChIKeyCSVBJAWWAHERBO-UHFFFAOYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine with MolForge

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Related Compounds

4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine
CID 64628286
[2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 64696759
[4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 60876381
[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine
CID 43530201
[4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine
CID 43530656
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293648
[4-(2-methylbutan-2-yl)-2-methylsulfonylcyclohexyl]methanamine
CID 64698061
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43294253
[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine
CID 81329173
2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293755
[4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine
CID 43428856

Frequently Asked Questions

What is the IUPAC name of [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The IUPAC name of [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine (CID 43530062) is [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(SC(C)(C)C)C1.
What is the InChIKey of [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The InChIKey is CSVBJAWWAHERBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-7-16(5,6)13-9-8-12(11-17)14(10-13)18-15(2,3)4/h12-14H,7-11,17H2,1-6H3.
What are the key properties of [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine has a molecular weight of 271.51 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43530062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).