1-prop-2-enylpiperidin-2-amine

C8H16N2 — CID 5251819

IUPAC1-prop-2-enylpiperidin-2-amine
SMILESC=CCN1CCCCC1N
InChIInChI=1S/C8H16N2/c1-2-6-10-7-4-3-5-8(10)9/h2,8H,1,3-7,9H2
InChIKeyNUQXULBNQMDODR-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.94
Rot. Bonds2

About 1-prop-2-enylpiperidin-2-amine

1-prop-2-enylpiperidin-2-amine (PubChem CID 5251819) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-prop-2-enylpiperidin-2-amine.

Molecular Properties

Compound Name1-prop-2-enylpiperidin-2-amine
PubChem CID5251819
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-prop-2-enylpiperidin-2-amine
SMILESC=CCN1CCCCC1N
InChIInChI=1S/C8H16N2/c1-2-6-10-7-4-3-5-8(10)9/h2,8H,1,3-7,9H2
InChIKeyNUQXULBNQMDODR-UHFFFAOYSA-N
XLogP0.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpiperidin-2-amine?
The IUPAC name of 1-prop-2-enylpiperidin-2-amine (CID 5251819) is 1-prop-2-enylpiperidin-2-amine.
What is the SMILES notation for 1-prop-2-enylpiperidin-2-amine?
The canonical SMILES for 1-prop-2-enylpiperidin-2-amine is C=CCN1CCCCC1N.
What is the InChIKey of 1-prop-2-enylpiperidin-2-amine?
The InChIKey is NUQXULBNQMDODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-6-10-7-4-3-5-8(10)9/h2,8H,1,3-7,9H2.
What are the key properties of 1-prop-2-enylpiperidin-2-amine?
1-prop-2-enylpiperidin-2-amine has a molecular weight of 140.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperidin-2-amine is sourced from PubChem (CID 5251819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).