2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine

C13H23N — CID 67853314

IUPAC2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine
SMILESC=CCNC1CC2CC(C1C)C2(C)C
InChIInChI=1S/C13H23N/c1-5-6-14-12-8-10-7-11(9(12)2)13(10,3)4/h5,9-12,14H,1,6-8H2,2-4H3
InChIKeyTYSSSHVGRUXVNX-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.83
Rot. Bonds3

About 2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine

2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine (PubChem CID 67853314) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine
PubChem CID67853314
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine
SMILESC=CCNC1CC2CC(C1C)C2(C)C
InChIInChI=1S/C13H23N/c1-5-6-14-12-8-10-7-11(9(12)2)13(10,3)4/h5,9-12,14H,1,6-8H2,2-4H3
InChIKeyTYSSSHVGRUXVNX-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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 2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine?
The IUPAC name of 2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine (CID 67853314) is 2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for 2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for 2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine is C=CCNC1CC2CC(C1C)C2(C)C.
What is the InChIKey of 2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine?
The InChIKey is TYSSSHVGRUXVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-5-6-14-12-8-10-7-11(9(12)2)13(10,3)4/h5,9-12,14H,1,6-8H2,2-4H3.
What are the key properties of 2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine?
2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine has a molecular weight of 193.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 67853314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).