N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine

C13H27NS — CID 64634825

IUPACN-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(SC(C)C)C1
InChIInChI=1S/C13H27NS/c1-5-6-11-7-8-12(14-4)13(9-11)15-10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyRHSCIIYSIJGODF-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.68
Rot. Bonds5

About N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine

N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine (PubChem CID 64634825) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine
PubChem CID64634825
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(SC(C)C)C1
InChIInChI=1S/C13H27NS/c1-5-6-11-7-8-12(14-4)13(9-11)15-10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyRHSCIIYSIJGODF-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol
CID 66136229
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
methyl 2-[2-(methylamino)-5-propylcyclohexyl]sulfanylacetate
CID 64612906
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine
CID 78944026
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine
CID 106927660
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine
CID 64647878
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651091
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63493665
2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine
CID 63465286

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine (CID 64634825) is N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(SC(C)C)C1.
What is the InChIKey of N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine?
The InChIKey is RHSCIIYSIJGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-5-6-11-7-8-12(14-4)13(9-11)15-10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine?
N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64634825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).