1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine

C15H32N2S — CID 114124875

IUPAC1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine
SMILESCSCCCCCCN1CCCC(NC(C)C)C1
InChIInChI=1S/C15H32N2S/c1-14(2)16-15-9-8-11-17(13-15)10-6-4-5-7-12-18-3/h14-16H,4-13H2,1-3H3
InChIKeyXDJMEVWTKFVHSX-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.37
Rot. Bonds9

About 1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine

1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine (PubChem CID 114124875) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine
PubChem CID114124875
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine
SMILESCSCCCCCCN1CCCC(NC(C)C)C1
InChIInChI=1S/C15H32N2S/c1-14(2)16-15-9-8-11-17(13-15)10-6-4-5-7-12-18-3/h14-16H,4-13H2,1-3H3
InChIKeyXDJMEVWTKFVHSX-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
CID 167253643
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine
CID 83696638
3-(2-methylpropyl)-1-(4-methylsulfanylbutyl)-1,4-diazepane
CID 113488331
2-methyl-2-[1-(4-methylsulfanylbutyl)piperidin-3-yl]propanoic acid
CID 103090497
3-butan-2-yl-1-(4-methylsulfanylbutyl)-1,4-diazepane
CID 113488328
1-butyl-N-methylpiperidin-3-amine
CID 62534430
N-propan-2-yl-1-(2-thiophen-2-ylethyl)piperidin-3-amine
CID 63776852
2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 114127667
1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine
CID 104926411
1-[(2-methylcyclopentyl)methyl]-N-propan-2-ylpiperidin-3-amine
CID 107420791
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of 1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine (CID 114124875) is 1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine is CSCCCCCCN1CCCC(NC(C)C)C1.
What is the InChIKey of 1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine?
The InChIKey is XDJMEVWTKFVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-14(2)16-15-9-8-11-17(13-15)10-6-4-5-7-12-18-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine?
1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine has a molecular weight of 272.50 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 114124875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).