(1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene

C12H17N — CID 10965047

IUPAC(1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)c1[nH]ccc12
InChIInChI=1S/C12H17N/c1-11(2)9-4-6-12(11,3)10-8(9)5-7-13-10/h5,7,9,13H,4,6H2,1-3H3/t9-,12+/m1/s1
InChIKeyJQHAQZLWQWQXJD-SKDRFNHKSA-N
MW175.28 g/mol
LogP3.19
Rot. Bonds

About (1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene

(1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene (PubChem CID 10965047) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene.

Molecular Properties

Compound Name(1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene
PubChem CID10965047
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)c1[nH]ccc12
InChIInChI=1S/C12H17N/c1-11(2)9-4-6-12(11,3)10-8(9)5-7-13-10/h5,7,9,13H,4,6H2,1-3H3/t9-,12+/m1/s1
InChIKeyJQHAQZLWQWQXJD-SKDRFNHKSA-N
XLogP3.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The IUPAC name of (1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene (CID 10965047) is (1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene.
What is the SMILES notation for (1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The canonical SMILES for (1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene is CC1(C)[C@@H]2CC[C@@]1(C)c1[nH]ccc12.
What is the InChIKey of (1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The InChIKey is JQHAQZLWQWQXJD-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H17N/c1-11(2)9-4-6-12(11,3)10-8(9)5-7-13-10/h5,7,9,13H,4,6H2,1-3H3/t9-,12+/m1/s1.
What are the key properties of (1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene?
(1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene has a molecular weight of 175.28 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene is sourced from PubChem (CID 10965047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).