1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine

C12H24N2 — CID 117021638

IUPAC1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
SMILESC=CCN1CC(CNC)CCC1(C)C
InChIInChI=1S/C12H24N2/c1-5-8-14-10-11(9-13-4)6-7-12(14,2)3/h5,11,13H,1,6-10H2,2-4H3
InChIKeyOZPFZSBQEMPVKG-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds4

About 1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine

1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine (PubChem CID 117021638) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
PubChem CID117021638
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
SMILESC=CCN1CC(CNC)CCC1(C)C
InChIInChI=1S/C12H24N2/c1-5-8-14-10-11(9-13-4)6-7-12(14,2)3/h5,11,13H,1,6-10H2,2-4H3
InChIKeyOZPFZSBQEMPVKG-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine
CID 117018912
N-methyl-1-(1,6,6-trimethylpiperidin-3-yl)methanamine
CID 117021633
1-(1-cyclopropyl-6,6-dimethylpiperidin-3-yl)-N-methylmethanamine
CID 117021637
N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine
CID 117018180
1-(2,2-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
CID 117019836
1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine
CID 117021673
1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 117018914
1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine
CID 81030775
1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine
CID 117018936
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine
CID 117020528
N-methyl-1-(1-prop-2-enylpiperidin-2-yl)methanamine
CID 62384358
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile
CID 117020468

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine (CID 117021638) is 1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine is C=CCN1CC(CNC)CCC1(C)C.
What is the InChIKey of 1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine?
The InChIKey is OZPFZSBQEMPVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-8-14-10-11(9-13-4)6-7-12(14,2)3/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of 1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine?
1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 117021638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).