N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C15H28N2S — CID 103847622

IUPACN-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCSC1CCCC(NC2CCN3CCCC3C2)C1
InChIInChI=1S/C15H28N2S/c1-18-15-6-2-4-12(11-15)16-13-7-9-17-8-3-5-14(17)10-13/h12-16H,2-11H2,1H3
InChIKeyGHQWPXRCJBQLMH-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.88
Rot. Bonds3

About N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 103847622) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID103847622
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCSC1CCCC(NC2CCN3CCCC3C2)C1
InChIInChI=1S/C15H28N2S/c1-18-15-6-2-4-12(11-15)16-13-7-9-17-8-3-5-14(17)10-13/h12-16H,2-11H2,1H3
InChIKeyGHQWPXRCJBQLMH-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

N-(3-propan-2-ylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847608
N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine
CID 114122749
N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 113361626
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728592
N-(4-propylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728588
N-(2-ethylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115709909
N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine
CID 104871503
N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine
CID 79619483
1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine
CID 115721214
N-(2-methylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115689388
3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 79618405
N-(1,2,5-trimethylpiperidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298387

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 103847622) is N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CSC1CCCC(NC2CCN3CCCC3C2)C1.
What is the InChIKey of N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is GHQWPXRCJBQLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-18-15-6-2-4-12(11-15)16-13-7-9-17-8-3-5-14(17)10-13/h12-16H,2-11H2,1H3.
What are the key properties of N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 268.47 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 103847622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).