2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine

C12H21N — CID 163868549

IUPAC2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESC=CC(C)(C)C1(N)CC2CCC1C2
InChIInChI=1S/C12H21N/c1-4-11(2,3)12(13)8-9-5-6-10(12)7-9/h4,9-10H,1,5-8,13H2,2-3H3
InChIKeyPITMGIZREKMONO-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.72
Rot. Bonds2

About 2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine

2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 163868549) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine
PubChem CID163868549
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESC=CC(C)(C)C1(N)CC2CCC1C2
InChIInChI=1S/C12H21N/c1-4-11(2,3)12(13)8-9-5-6-10(12)7-9/h4,9-10H,1,5-8,13H2,2-3H3
InChIKeyPITMGIZREKMONO-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.72
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 2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine (CID 163868549) is 2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine is C=CC(C)(C)C1(N)CC2CCC1C2.
What is the InChIKey of 2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is PITMGIZREKMONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-11(2,3)12(13)8-9-5-6-10(12)7-9/h4,9-10H,1,5-8,13H2,2-3H3.
What are the key properties of 2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine?
2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-en-2-yl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 163868549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).