1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine

C13H24N2S — CID 106426416

IUPAC1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine
SMILESC#CCSCCNC(C)CC1CCCCN1
InChIInChI=1S/C13H24N2S/c1-3-9-16-10-8-14-12(2)11-13-6-4-5-7-15-13/h1,12-15H,4-11H2,2H3
InChIKeyHGUQOYQIKCCCNC-UHFFFAOYSA-N
MW240.42 g/mol
LogP1.86
Rot. Bonds7

About 1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine

1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine (PubChem CID 106426416) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine
PubChem CID106426416
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine
SMILESC#CCSCCNC(C)CC1CCCCN1
InChIInChI=1S/C13H24N2S/c1-3-9-16-10-8-14-12(2)11-13-6-4-5-7-15-13/h1,12-15H,4-11H2,2H3
InChIKeyHGUQOYQIKCCCNC-UHFFFAOYSA-N
XLogP1.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine
CID 79538896
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-(2-phenylsulfanylethyl)-1-piperidin-2-ylpropan-2-amine
CID 79537019
1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
CID 79560062
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79538185
1-piperidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 79549233
1-cyclohexyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115677247
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine?
The IUPAC name of 1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine (CID 106426416) is 1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine?
The canonical SMILES for 1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine is C#CCSCCNC(C)CC1CCCCN1.
What is the InChIKey of 1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine?
The InChIKey is HGUQOYQIKCCCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-9-16-10-8-14-12(2)11-13-6-4-5-7-15-13/h1,12-15H,4-11H2,2H3.
What are the key properties of 1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine?
1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-N-(2-prop-2-ynylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 106426416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).