1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine

C13H26N2S — CID 115721214

IUPAC1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine
SMILESCSC1CCCC(NC2CC(C)N(C)C2)C1
InChIInChI=1S/C13H26N2S/c1-10-7-12(9-15(10)2)14-11-5-4-6-13(8-11)16-3/h10-14H,4-9H2,1-3H3
InChIKeyTZZFKHXILSROPA-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.34
Rot. Bonds3

About 1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine

1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine (PubChem CID 115721214) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine
PubChem CID115721214
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine
SMILESCSC1CCCC(NC2CC(C)N(C)C2)C1
InChIInChI=1S/C13H26N2S/c1-10-7-12(9-15(10)2)14-11-5-4-6-13(8-11)16-3/h10-14H,4-9H2,1-3H3
InChIKeyTZZFKHXILSROPA-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1,5-dimethylpyrrolidin-3-amine
CID 81302091
N-(2-methylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115689388
N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine
CID 104871503
N-(4,4-dimethylcyclohexyl)-1,5-dimethylpyrrolidin-3-amine
CID 81335868
1,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidin-3-amine
CID 81466141
N-(2,3-dimethylcyclohexyl)-1,5-dimethylpyrrolidin-3-amine
CID 81301624
N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847622
N-(4-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-amine
CID 81298687
N-(1-cyclopropylpyrrolidin-3-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81344811
N-(1,1-dioxothiolan-3-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81300872
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
CID 115886375
N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115721250

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine (CID 115721214) is 1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine is CSC1CCCC(NC2CC(C)N(C)C2)C1.
What is the InChIKey of 1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine?
The InChIKey is TZZFKHXILSROPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-10-7-12(9-15(10)2)14-11-5-4-6-13(8-11)16-3/h10-14H,4-9H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine?
1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 115721214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).