4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine

C18H35NOS — CID 106496874

IUPAC4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1SCC1CCCO1
InChIInChI=1S/C18H35NOS/c1-5-10-19-16-9-8-14(18(2,3)4)12-17(16)21-13-15-7-6-11-20-15/h14-17,19H,5-13H2,1-4H3
InChIKeyXBLZYRAVMORBFY-UHFFFAOYSA-N
MW313.55 g/mol
LogP4.48
Rot. Bonds6

About 4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine

4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine (PubChem CID 106496874) has the molecular formula C18H35NOS and a molecular weight of 313.55 g/mol. Its IUPAC name is 4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
PubChem CID106496874
Molecular FormulaC18H35NOS
Molecular Weight313.55 g/mol
Exact Mass313.24
IUPAC Name4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1SCC1CCCO1
InChIInChI=1S/C18H35NOS/c1-5-10-19-16-9-8-14(18(2,3)4)12-17(16)21-13-15-7-6-11-20-15/h14-17,19H,5-13H2,1-4H3
InChIKeyXBLZYRAVMORBFY-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496824
4-tert-butyl-2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611522
ethyl 2-[5-tert-butyl-2-(propylamino)cyclohexyl]sulfanylacetate
CID 64615662
N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine
CID 106496921
N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine
CID 106496986
4-tert-butyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 107784358
4-tert-butyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621738
4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine
CID 64657231
4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
CID 64625882
2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine
CID 64613470
4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64649388
4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64644514

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine (CID 106496874) is 4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)C)CC1SCC1CCCO1.
What is the InChIKey of 4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
The InChIKey is XBLZYRAVMORBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NOS/c1-5-10-19-16-9-8-14(18(2,3)4)12-17(16)21-13-15-7-6-11-20-15/h14-17,19H,5-13H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine?
4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine has a molecular weight of 313.55 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106496874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).