3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine

C14H28N2 — CID 134422861

IUPAC3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine
SMILESC=CCC1CCN(CC(N)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2/c1-5-6-12-7-9-16(10-8-12)11-13(15)14(2,3)4/h5,12-13H,1,6-11,15H2,2-4H3
InChIKeyVGXBIHQKDGSOFZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.65
Rot. Bonds4

About 3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine

3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine (PubChem CID 134422861) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine
PubChem CID134422861
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine
SMILESC=CCC1CCN(CC(N)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2/c1-5-6-12-7-9-16(10-8-12)11-13(15)14(2,3)4/h5,12-13H,1,6-11,15H2,2-4H3
InChIKeyVGXBIHQKDGSOFZ-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.65
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 3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine (CID 134422861) is 3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine is C=CCC1CCN(CC(N)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine?
The InChIKey is VGXBIHQKDGSOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-6-12-7-9-16(10-8-12)11-13(15)14(2,3)4/h5,12-13H,1,6-11,15H2,2-4H3.
What are the key properties of 3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine?
3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine has a molecular weight of 224.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-prop-2-enylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 134422861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).