4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine

C14H29NOS — CID 115763856

IUPAC4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine
SMILESCC(CNC1CCC(C(C)(C)C)CC1)S(C)=O
InChIInChI=1S/C14H29NOS/c1-11(17(5)16)10-15-13-8-6-12(7-9-13)14(2,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyHEVHZXKJUXXGTP-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.95
Rot. Bonds4

About 4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine

4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine (PubChem CID 115763856) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine
PubChem CID115763856
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine
SMILESCC(CNC1CCC(C(C)(C)C)CC1)S(C)=O
InChIInChI=1S/C14H29NOS/c1-11(17(5)16)10-15-13-8-6-12(7-9-13)14(2,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyHEVHZXKJUXXGTP-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylsulfinylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844737
N-(2-methylsulfinylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844818
4-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106427051
4-(2-methylbutan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106427209
3-[(4-tert-Butylcyclohexyl)amino]propane-1-sulfonic acid
CID 16035949
4-tert-butyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 54932163
4-(methylsulfonylmethyl)-N-(2,3,3-trimethylbutan-2-yl)cyclohexan-1-amine
CID 58297179
4-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60719554
4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60721098
4-ethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920149
N-ethyl-4-(methylsulfonylmethyl)cyclohexan-1-amine
CID 70830744
N-methyl-4-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 118178441

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine (CID 115763856) is 4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine is CC(CNC1CCC(C(C)(C)C)CC1)S(C)=O.
What is the InChIKey of 4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine?
The InChIKey is HEVHZXKJUXXGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-11(17(5)16)10-15-13-8-6-12(7-9-13)14(2,3)4/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine?
4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 115763856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).