2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine

C16H33NOS — CID 107760677

IUPAC2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1C(S(=O)CCC(C)C)CCCC1(C)C
InChIInChI=1S/C16H33NOS/c1-6-11-17-15-14(8-7-10-16(15,4)5)19(18)12-9-13(2)3/h13-15,17H,6-12H2,1-5H3
InChIKeyOQHZLEWQVFNLLV-UHFFFAOYSA-N
MW287.51 g/mol
LogP3.73
Rot. Bonds7

About 2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine

2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine (PubChem CID 107760677) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
PubChem CID107760677
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1C(S(=O)CCC(C)C)CCCC1(C)C
InChIInChI=1S/C16H33NOS/c1-6-11-17-15-14(8-7-10-16(15,4)5)19(18)12-9-13(2)3/h13-15,17H,6-12H2,1-5H3
InChIKeyOQHZLEWQVFNLLV-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine (CID 107760677) is 2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine is CCCNC1C(S(=O)CCC(C)C)CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine?
The InChIKey is OQHZLEWQVFNLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-6-11-17-15-14(8-7-10-16(15,4)5)19(18)12-9-13(2)3/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine?
2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine has a molecular weight of 287.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3-methylbutylsulfinyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107760677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).