3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine

C12H25NS — CID 115905868

IUPAC3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine
SMILESCSCC(C)NC1CCCC(C)(C)C1
InChIInChI=1S/C12H25NS/c1-10(9-14-4)13-11-6-5-7-12(2,3)8-11/h10-11,13H,5-9H2,1-4H3
InChIKeyWGINDVQOVXZPSJ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds4

About 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine

3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine (PubChem CID 115905868) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine
PubChem CID115905868
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine
SMILESCSCC(C)NC1CCCC(C)(C)C1
InChIInChI=1S/C12H25NS/c1-10(9-14-4)13-11-6-5-7-12(2,3)8-11/h10-11,13H,5-9H2,1-4H3
InChIKeyWGINDVQOVXZPSJ-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
CID 96710709
N-(1-methylsulfanylpropan-2-yl)cyclopentanamine
CID 115721778
(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol
CID 114985646
N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448780
N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 113472784
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
CID 81350839
3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398337
3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115978
N-[(1R)-1-cyclopentylethyl]-3,3-dimethylcyclopentan-1-amine
CID 81395492
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine (CID 115905868) is 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine is CSCC(C)NC1CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine?
The InChIKey is WGINDVQOVXZPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-10(9-14-4)13-11-6-5-7-12(2,3)8-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine?
3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 115905868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).