(1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane

C12H21N — CID 89010406

IUPAC(1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane
SMILESCC1CC2(C)C(N1)[C@@]1(C)CC[C@H]2C1
InChIInChI=1S/C12H21N/c1-8-6-12(3)9-4-5-11(2,7-9)10(12)13-8/h8-10,13H,4-7H2,1-3H3/t8?,9-,10?,11-,12?/m0/s1
InChIKeyDYVNQEMCUGFBNX-KNHGFYQXSA-N
MW179.31 g/mol
LogP2.56
Rot. Bonds

About (1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane

(1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane (PubChem CID 89010406) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane
PubChem CID89010406
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane
SMILESCC1CC2(C)C(N1)[C@@]1(C)CC[C@H]2C1
InChIInChI=1S/C12H21N/c1-8-6-12(3)9-4-5-11(2,7-9)10(12)13-8/h8-10,13H,4-7H2,1-3H3/t8?,9-,10?,11-,12?/m0/s1
InChIKeyDYVNQEMCUGFBNX-KNHGFYQXSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane (CID 89010406) is (1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane is CC1CC2(C)C(N1)[C@@]1(C)CC[C@H]2C1.
What is the InChIKey of (1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane?
The InChIKey is DYVNQEMCUGFBNX-KNHGFYQXSA-N. The full InChI is InChI=1S/C12H21N/c1-8-6-12(3)9-4-5-11(2,7-9)10(12)13-8/h8-10,13H,4-7H2,1-3H3/t8?,9-,10?,11-,12?/m0/s1.
What are the key properties of (1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane?
(1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane has a molecular weight of 179.31 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-1,4,6-trimethyl-3-azatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 89010406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).