4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine

C11H22N2 — CID 77110579

IUPAC4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine
SMILESCC1CCCC(C)N1CC=CCN
InChIInChI=1S/C11H22N2/c1-10-6-5-7-11(2)13(10)9-4-3-8-12/h3-4,10-11H,5-9,12H2,1-2H3
InChIKeyDIYGAYLDCRJHSC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.76
Rot. Bonds3

About 4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine

4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine (PubChem CID 77110579) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine
PubChem CID77110579
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine
SMILESCC1CCCC(C)N1CC=CCN
InChIInChI=1S/C11H22N2/c1-10-6-5-7-11(2)13(10)9-4-3-8-12/h3-4,10-11H,5-9,12H2,1-2H3
InChIKeyDIYGAYLDCRJHSC-UHFFFAOYSA-N
XLogP1.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobut-2-enyl)-2,6-dimethylpiperidine
CID 77051843
(E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine
CID 66047503
4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine
CID 77110314
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 104967667
[1-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]cyclopropyl]methanamine
CID 104967782
(2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 130492440
4-(4-ethylazepan-1-yl)but-2-en-1-amine
CID 77110365
[1-(3,3-dimethylbutyl)-6-methylpiperidin-2-yl]methanamine
CID 63555053
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine
CID 104967794
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine
CID 104967716
(1-heptyl-6-methylpiperidin-2-yl)methanamine
CID 63554513

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine (CID 77110579) is 4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine is CC1CCCC(C)N1CC=CCN.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine?
The InChIKey is DIYGAYLDCRJHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-6-5-7-11(2)13(10)9-4-3-8-12/h3-4,10-11H,5-9,12H2,1-2H3.
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine?
4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 77110579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).