3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine

C13H23N — CID 123542704

IUPAC3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine
SMILESCC(CN)CC1=CCC2CC1C2(C)C
InChIInChI=1S/C13H23N/c1-9(8-14)6-10-4-5-11-7-12(10)13(11,2)3/h4,9,11-12H,5-8,14H2,1-3H3
InChIKeyWRAOSTHGWQKDLX-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.96
Rot. Bonds3

About 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine

3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine (PubChem CID 123542704) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine
PubChem CID123542704
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine
SMILESCC(CN)CC1=CCC2CC1C2(C)C
InChIInChI=1S/C13H23N/c1-9(8-14)6-10-4-5-11-7-12(10)13(11,2)3/h4,9,11-12H,5-8,14H2,1-3H3
InChIKeyWRAOSTHGWQKDLX-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine (CID 123542704) is 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine is CC(CN)CC1=CCC2CC1C2(C)C.
What is the InChIKey of 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine?
The InChIKey is WRAOSTHGWQKDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(8-14)6-10-4-5-11-7-12(10)13(11,2)3/h4,9,11-12H,5-8,14H2,1-3H3.
What are the key properties of 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine?
3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2-methylpropan-1-amine is sourced from PubChem (CID 123542704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).