2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine

C12H24N2 — CID 117020528

IUPAC2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine
SMILESC=CCN1CCC(CCN)CC1(C)C
InChIInChI=1S/C12H24N2/c1-4-8-14-9-6-11(5-7-13)10-12(14,2)3/h4,11H,1,5-10,13H2,2-3H3
InChIKeyIOKSXKYIIPIOLJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.01
Rot. Bonds4

About 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine

2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine (PubChem CID 117020528) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine
PubChem CID117020528
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine
SMILESC=CCN1CCC(CCN)CC1(C)C
InChIInChI=1S/C12H24N2/c1-4-8-14-9-6-11(5-7-13)10-12(14,2)3/h4,11H,1,5-10,13H2,2-3H3
InChIKeyIOKSXKYIIPIOLJ-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.01
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 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine (CID 117020528) is 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine is C=CCN1CCC(CCN)CC1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine?
The InChIKey is IOKSXKYIIPIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-8-14-9-6-11(5-7-13)10-12(14,2)3/h4,11H,1,5-10,13H2,2-3H3.
What are the key properties of 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine?
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine has a molecular weight of 196.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 117020528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).