4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine

C14H29NOS — CID 64657231

IUPAC4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1S(C)=O
InChIInChI=1S/C14H29NOS/c1-6-9-15-12-8-7-11(14(2,3)4)10-13(12)17(5)16/h11-13,15H,6-10H2,1-5H3
InChIKeySEQWKHFARAGQIN-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.95
Rot. Bonds4

About 4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine

4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine (PubChem CID 64657231) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine
PubChem CID64657231
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1S(C)=O
InChIInChI=1S/C14H29NOS/c1-6-9-15-12-8-7-11(14(2,3)4)10-13(12)17(5)16/h11-13,15H,6-10H2,1-5H3
InChIKeySEQWKHFARAGQIN-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

4-tert-butyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64644514
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
4-tert-butyl-2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611522
2-(azepan-1-yl)-4-tert-butyl-N-propylcyclohexan-1-amine
CID 63466548
4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63401494
ethyl 2-[5-tert-butyl-2-(propylamino)cyclohexyl]sulfanylacetate
CID 64615662
4-tert-butyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621738
2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743
4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832
4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483435
4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
CID 63474740
2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64652319

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine (CID 64657231) is 4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)C)CC1S(C)=O.
What is the InChIKey of 4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine?
The InChIKey is SEQWKHFARAGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-6-9-15-12-8-7-11(14(2,3)4)10-13(12)17(5)16/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine?
4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-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-2-methylsulfinyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64657231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).