7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine

C13H23N — CID 70631195

IUPAC7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine
SMILESC=C(C)CNC12CCC(CC1)C2(C)C
InChIInChI=1S/C13H23N/c1-10(2)9-14-13-7-5-11(6-8-13)12(13,3)4/h11,14H,1,5-9H2,2-4H3
InChIKeySOTFPDQJJDRUEQ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.12
Rot. Bonds3

About 7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine

7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine (PubChem CID 70631195) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine
PubChem CID70631195
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine
SMILESC=C(C)CNC12CCC(CC1)C2(C)C
InChIInChI=1S/C13H23N/c1-10(2)9-14-13-7-5-11(6-8-13)12(13,3)4/h11,14H,1,5-9H2,2-4H3
InChIKeySOTFPDQJJDRUEQ-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 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 ≤ 53.12
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 7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine?
The IUPAC name of 7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine (CID 70631195) is 7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine.
What is the SMILES notation for 7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine?
The canonical SMILES for 7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine is C=C(C)CNC12CCC(CC1)C2(C)C.
What is the InChIKey of 7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine?
The InChIKey is SOTFPDQJJDRUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)9-14-13-7-5-11(6-8-13)12(13,3)4/h11,14H,1,5-9H2,2-4H3.
What are the key properties of 7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine?
7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine is sourced from PubChem (CID 70631195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).