3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane

C12H24N2 — CID 168899850

IUPAC3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane
SMILESCC.[H]/N=C1/N(C(=C)C)CCCC1(C)C
InChIInChI=1S/C10H18N2.C2H6/c1-8(2)12-7-5-6-10(3,4)9(12)11;1-2/h11H,1,5-7H2,2-4H3;1-2H3/b11-9+;
InChIKeyVKGAUKZBSABAQR-LBEJWNQZSA-N
MW196.34 g/mol
LogP3.65
Rot. Bonds1

About 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane

3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane (PubChem CID 168899850) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane.

Molecular Properties

Compound Name3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane
PubChem CID168899850
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane
SMILESCC.[H]/N=C1/N(C(=C)C)CCCC1(C)C
InChIInChI=1S/C10H18N2.C2H6/c1-8(2)12-7-5-6-10(3,4)9(12)11;1-2/h11H,1,5-7H2,2-4H3;1-2H3/b11-9+;
InChIKeyVKGAUKZBSABAQR-LBEJWNQZSA-N
XLogP3.65
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethenyl-5,5-dimethylpiperidin-2-imine
CID 123938827
4-Ethyl-1-prop-1-en-2-ylpiperidin-2-imine
CID 166139638
Ethane;1-prop-1-en-2-ylpiperidin-2-imine
CID 172575743
3,3-Dimethyl-1-prop-1-en-2-ylpiperidin-2-imine
CID 168899851
1-Prop-1-en-2-ylpiperidin-2-imine
CID 172575744

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane?
The IUPAC name of 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane (CID 168899850) is 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane.
What is the SMILES notation for 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane?
The canonical SMILES for 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane is CC.[H]/N=C1/N(C(=C)C)CCCC1(C)C.
What is the InChIKey of 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane?
The InChIKey is VKGAUKZBSABAQR-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-8(2)12-7-5-6-10(3,4)9(12)11;1-2/h11H,1,5-7H2,2-4H3;1-2H3/b11-9+;.
What are the key properties of 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane?
3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane has a molecular weight of 196.34 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane is sourced from PubChem (CID 168899850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).