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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242
2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide
CID 114232022
2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine
CID 79835826
3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79836033
6-(3-methoxypropylsulfinyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847582
2-(3-methylbutylsulfinyl)cyclopentan-1-amine
CID 107760700
6-cyclopentylsulfonyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847934
2,2-dimethyl-5-(2-methylpropylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862706
N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
CID 107759913
5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862922
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79927085
3-[3,3-dimethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 79852758

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).