4-propyl-2-propylsulfanylcyclohexan-1-amine

C12H25NS — CID 64615537

IUPAC4-propyl-2-propylsulfanylcyclohexan-1-amine
SMILESCCCSC1CC(CCC)CCC1N
InChIInChI=1S/C12H25NS/c1-3-5-10-6-7-11(13)12(9-10)14-8-4-2/h10-12H,3-9,13H2,1-2H3
InChIKeyJBTFXZYJIOAZDV-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.43
Rot. Bonds5

About 4-propyl-2-propylsulfanylcyclohexan-1-amine

4-propyl-2-propylsulfanylcyclohexan-1-amine (PubChem CID 64615537) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-propyl-2-propylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-2-propylsulfanylcyclohexan-1-amine
PubChem CID64615537
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-propyl-2-propylsulfanylcyclohexan-1-amine
SMILESCCCSC1CC(CCC)CCC1N
InChIInChI=1S/C12H25NS/c1-3-5-10-6-7-11(13)12(9-10)14-8-4-2/h10-12H,3-9,13H2,1-2H3
InChIKeyJBTFXZYJIOAZDV-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propyl-2-propylsulfanylcyclohexyl)methanamine
CID 43530082
3-(2-amino-5-propylcyclohexyl)sulfanyl-2-methylpropan-1-ol
CID 66103925
2-methyl-3-propylsulfanylcyclopentan-1-amine
CID 64905956
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
2-heptyl-4-propylcyclohexan-1-amine
CID 63403454
2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 112664707
2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093550
(2-cyclopentylsulfanyl-4-propylcyclohexyl)methanamine
CID 63405084
(3-propylcyclopentyl)methanamine
CID 83635339
4-propyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63468765
2-(propoxymethyl)-4-propylcyclohexan-1-amine
CID 81013169
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-propylsulfanylcyclohexan-1-amine?
The IUPAC name of 4-propyl-2-propylsulfanylcyclohexan-1-amine (CID 64615537) is 4-propyl-2-propylsulfanylcyclohexan-1-amine.
What is the SMILES notation for 4-propyl-2-propylsulfanylcyclohexan-1-amine?
The canonical SMILES for 4-propyl-2-propylsulfanylcyclohexan-1-amine is CCCSC1CC(CCC)CCC1N.
What is the InChIKey of 4-propyl-2-propylsulfanylcyclohexan-1-amine?
The InChIKey is JBTFXZYJIOAZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-3-5-10-6-7-11(13)12(9-10)14-8-4-2/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 4-propyl-2-propylsulfanylcyclohexan-1-amine?
4-propyl-2-propylsulfanylcyclohexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-propylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64615537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).