2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine

C13H25NS — CID 115892184

IUPAC2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine
SMILESCCCC1CC1NC1CCCCC1SC
InChIInChI=1S/C13H25NS/c1-3-6-10-9-12(10)14-11-7-4-5-8-13(11)15-2/h10-14H,3-9H2,1-2H3
InChIKeyJZHBEAXODFEWLJ-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds5

About 2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine

2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine (PubChem CID 115892184) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine
PubChem CID115892184
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine
SMILESCCCC1CC1NC1CCCCC1SC
InChIInChI=1S/C13H25NS/c1-3-6-10-9-12(10)14-11-7-4-5-8-13(11)15-2/h10-14H,3-9H2,1-2H3
InChIKeyJZHBEAXODFEWLJ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-propylcyclopropyl)cyclopentan-1-amine
CID 115892233
2-tert-butyl-N-(2-propylcyclopropyl)cyclohexan-1-amine
CID 114110263
N-(2-propylcyclopropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 114110401
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine
CID 130934187
1-ethyl-N-(2-methylsulfanylcyclohexyl)piperidin-4-amine
CID 113259889
2-ethyl-N-(2-ethylcyclopropyl)cyclohexan-1-amine
CID 103960948
N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
CID 127015746
4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine
CID 103786599
4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine
CID 114110275
N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
CID 103729880
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine (CID 115892184) is 2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine is CCCC1CC1NC1CCCCC1SC.
What is the InChIKey of 2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine?
The InChIKey is JZHBEAXODFEWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-3-6-10-9-12(10)14-11-7-4-5-8-13(11)15-2/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine?
2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-propylcyclopropyl)cyclohexan-1-amine is sourced from PubChem (CID 115892184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).