(2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine

C11H19N — CID 166844250

IUPAC(2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine
SMILESC=C1C[C@@H]2C[C@@H](NC)C1C2(C)C
InChIInChI=1S/C11H19N/c1-7-5-8-6-9(12-4)10(7)11(8,2)3/h8-10,12H,1,5-6H2,2-4H3/t8-,9-,10?/m1/s1
InChIKeyIBTYPCYZOMGWPO-MGRQHWMJSA-N
MW165.28 g/mol
LogP2.20
Rot. Bonds1

About (2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine

(2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine (PubChem CID 166844250) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine
PubChem CID166844250
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine
SMILESC=C1C[C@@H]2C[C@@H](NC)C1C2(C)C
InChIInChI=1S/C11H19N/c1-7-5-8-6-9(12-4)10(7)11(8,2)3/h8-10,12H,1,5-6H2,2-4H3/t8-,9-,10?/m1/s1
InChIKeyIBTYPCYZOMGWPO-MGRQHWMJSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.20
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 (2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine (CID 166844250) is (2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine is C=C1C[C@@H]2C[C@@H](NC)C1C2(C)C.
What is the InChIKey of (2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine?
The InChIKey is IBTYPCYZOMGWPO-MGRQHWMJSA-N. The full InChI is InChI=1S/C11H19N/c1-7-5-8-6-9(12-4)10(7)11(8,2)3/h8-10,12H,1,5-6H2,2-4H3/t8-,9-,10?/m1/s1.
What are the key properties of (2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine?
(2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 166844250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).