(4-propyl-2-propylsulfanylcyclohexyl)methanamine

C13H27NS — CID 43530082

IUPAC(4-propyl-2-propylsulfanylcyclohexyl)methanamine
SMILESCCCSC1CC(CCC)CCC1CN
InChIInChI=1S/C13H27NS/c1-3-5-11-6-7-12(10-14)13(9-11)15-8-4-2/h11-13H,3-10,14H2,1-2H3
InChIKeyNDHBKOPOEUSBAD-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.67
Rot. Bonds6

About (4-propyl-2-propylsulfanylcyclohexyl)methanamine

(4-propyl-2-propylsulfanylcyclohexyl)methanamine (PubChem CID 43530082) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is (4-propyl-2-propylsulfanylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-propyl-2-propylsulfanylcyclohexyl)methanamine
PubChem CID43530082
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name(4-propyl-2-propylsulfanylcyclohexyl)methanamine
SMILESCCCSC1CC(CCC)CCC1CN
InChIInChI=1S/C13H27NS/c1-3-5-11-6-7-12(10-14)13(9-11)15-8-4-2/h11-13H,3-10,14H2,1-2H3
InChIKeyNDHBKOPOEUSBAD-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyl-2-propylsulfanylcyclohexan-1-amine
CID 64615537
(2-cyclopentylsulfanyl-4-propylcyclohexyl)methanamine
CID 63405084
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
(2-phenylsulfanyl-4-propylcyclohexyl)methanamine
CID 43530144
[2-(4-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 43530264
[2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine
CID 61382815
[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 63404568
(3-propylcyclopentyl)methanamine
CID 83635339
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-propylcyclohexyl]methanamine
CID 63404646
(2-pentoxy-4-propylcyclohexyl)methanamine
CID 43294257
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol
CID 61424771

Frequently Asked Questions

What is the IUPAC name of (4-propyl-2-propylsulfanylcyclohexyl)methanamine?
The IUPAC name of (4-propyl-2-propylsulfanylcyclohexyl)methanamine (CID 43530082) is (4-propyl-2-propylsulfanylcyclohexyl)methanamine.
What is the SMILES notation for (4-propyl-2-propylsulfanylcyclohexyl)methanamine?
The canonical SMILES for (4-propyl-2-propylsulfanylcyclohexyl)methanamine is CCCSC1CC(CCC)CCC1CN.
What is the InChIKey of (4-propyl-2-propylsulfanylcyclohexyl)methanamine?
The InChIKey is NDHBKOPOEUSBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-3-5-11-6-7-12(10-14)13(9-11)15-8-4-2/h11-13H,3-10,14H2,1-2H3.
What are the key properties of (4-propyl-2-propylsulfanylcyclohexyl)methanamine?
(4-propyl-2-propylsulfanylcyclohexyl)methanamine has a molecular weight of 229.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propyl-2-propylsulfanylcyclohexyl)methanamine is sourced from PubChem (CID 43530082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).