3-ethenyl-N,1-dimethylpiperidin-4-amine

C9H18N2 — CID 135130695

IUPAC3-ethenyl-N,1-dimethylpiperidin-4-amine
SMILESC=CC1CN(C)CCC1NC
InChIInChI=1S/C9H18N2/c1-4-8-7-11(3)6-5-9(8)10-2/h4,8-10H,1,5-7H2,2-3H3
InChIKeyKLCOBOBIKBJTSS-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.71
Rot. Bonds2

About 3-ethenyl-N,1-dimethylpiperidin-4-amine

3-ethenyl-N,1-dimethylpiperidin-4-amine (PubChem CID 135130695) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-ethenyl-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethenyl-N,1-dimethylpiperidin-4-amine
PubChem CID135130695
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-ethenyl-N,1-dimethylpiperidin-4-amine
SMILESC=CC1CN(C)CCC1NC
InChIInChI=1S/C9H18N2/c1-4-8-7-11(3)6-5-9(8)10-2/h4,8-10H,1,5-7H2,2-3H3
InChIKeyKLCOBOBIKBJTSS-UHFFFAOYSA-N
XLogP0.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.71
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 3-ethenyl-N,1-dimethylpiperidin-4-amine?
The IUPAC name of 3-ethenyl-N,1-dimethylpiperidin-4-amine (CID 135130695) is 3-ethenyl-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for 3-ethenyl-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for 3-ethenyl-N,1-dimethylpiperidin-4-amine is C=CC1CN(C)CCC1NC.
What is the InChIKey of 3-ethenyl-N,1-dimethylpiperidin-4-amine?
The InChIKey is KLCOBOBIKBJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-8-7-11(3)6-5-9(8)10-2/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 3-ethenyl-N,1-dimethylpiperidin-4-amine?
3-ethenyl-N,1-dimethylpiperidin-4-amine has a molecular weight of 154.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 135130695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).