[1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine

C16H28N2 — CID 69455483

IUPAC[1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine
SMILESCC1(C)C2CC=C(CN3CCC(CN)CC3)C1C2
InChIInChI=1S/C16H28N2/c1-16(2)14-4-3-13(15(16)9-14)11-18-7-5-12(10-17)6-8-18/h3,12,14-15H,4-11,17H2,1-2H3
InChIKeyDXUAIYQXXGUOMC-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.65
Rot. Bonds3

About [1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine

[1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine (PubChem CID 69455483) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is [1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine
PubChem CID69455483
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name[1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine
SMILESCC1(C)C2CC=C(CN3CCC(CN)CC3)C1C2
InChIInChI=1S/C16H28N2/c1-16(2)14-4-3-13(15(16)9-14)11-18-7-5-12(10-17)6-8-18/h3,12,14-15H,4-11,17H2,1-2H3
InChIKeyDXUAIYQXXGUOMC-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
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 [1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine (CID 69455483) is [1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine is CC1(C)C2CC=C(CN3CCC(CN)CC3)C1C2.
What is the InChIKey of [1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is DXUAIYQXXGUOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16(2)14-4-3-13(15(16)9-14)11-18-7-5-12(10-17)6-8-18/h3,12,14-15H,4-11,17H2,1-2H3.
What are the key properties of [1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine?
[1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine has a molecular weight of 248.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 69455483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).