3-methyl-3-piperidin-1-ylbut-1-yn-1-amine

C10H18N2 — CID 143678244

IUPAC3-methyl-3-piperidin-1-ylbut-1-yn-1-amine
SMILESCC(C)(C#CN)N1CCCCC1
InChIInChI=1S/C10H18N2/c1-10(2,6-7-11)12-8-4-3-5-9-12/h3-5,8-9,11H2,1-2H3
InChIKeyHAIUWUKSBGDGOT-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.17
Rot. Bonds1

About 3-methyl-3-piperidin-1-ylbut-1-yn-1-amine

3-methyl-3-piperidin-1-ylbut-1-yn-1-amine (PubChem CID 143678244) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-methyl-3-piperidin-1-ylbut-1-yn-1-amine.

Molecular Properties

Compound Name3-methyl-3-piperidin-1-ylbut-1-yn-1-amine
PubChem CID143678244
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-methyl-3-piperidin-1-ylbut-1-yn-1-amine
SMILESCC(C)(C#CN)N1CCCCC1
InChIInChI=1S/C10H18N2/c1-10(2,6-7-11)12-8-4-3-5-9-12/h3-5,8-9,11H2,1-2H3
InChIKeyHAIUWUKSBGDGOT-UHFFFAOYSA-N
XLogP1.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 58998116
CID 58998116
3-methyl-2-piperidin-1-ylbutan-2-amine
CID 70117751
1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine
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2,4-dimethyl-4-piperidin-1-ylpentan-2-amine
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2-cyclohexyl-2-pyrrolidin-1-ylpropan-1-amine
CID 84723205
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839
2-(azepan-1-yl)-2-methylpropane-1,3-diol
CID 104550731
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
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2-methyl-2-piperidin-1-ylbutanenitrile
CID 43802933

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperidin-1-ylbut-1-yn-1-amine?
The IUPAC name of 3-methyl-3-piperidin-1-ylbut-1-yn-1-amine (CID 143678244) is 3-methyl-3-piperidin-1-ylbut-1-yn-1-amine.
What is the SMILES notation for 3-methyl-3-piperidin-1-ylbut-1-yn-1-amine?
The canonical SMILES for 3-methyl-3-piperidin-1-ylbut-1-yn-1-amine is CC(C)(C#CN)N1CCCCC1.
What is the InChIKey of 3-methyl-3-piperidin-1-ylbut-1-yn-1-amine?
The InChIKey is HAIUWUKSBGDGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,6-7-11)12-8-4-3-5-9-12/h3-5,8-9,11H2,1-2H3.
What are the key properties of 3-methyl-3-piperidin-1-ylbut-1-yn-1-amine?
3-methyl-3-piperidin-1-ylbut-1-yn-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperidin-1-ylbut-1-yn-1-amine is sourced from PubChem (CID 143678244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).