(2R,7S)-2,7-dimethylazocane

C9H19N — CID 146199429

IUPAC(2R,7S)-2,7-dimethylazocane
SMILESC[C@H]1CCCC[C@@H](C)NC1
InChIInChI=1S/C9H19N/c1-8-5-3-4-6-9(2)10-7-8/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyPEXNFAMVKZIYFA-DTWKUNHWSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds

About (2R,7S)-2,7-dimethylazocane

(2R,7S)-2,7-dimethylazocane (PubChem CID 146199429) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2R,7S)-2,7-dimethylazocane.

Molecular Properties

Compound Name(2R,7S)-2,7-dimethylazocane
PubChem CID146199429
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2R,7S)-2,7-dimethylazocane
SMILESC[C@H]1CCCC[C@@H](C)NC1
InChIInChI=1S/C9H19N/c1-8-5-3-4-6-9(2)10-7-8/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyPEXNFAMVKZIYFA-DTWKUNHWSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,7S)-2,7-dimethylazocane?
The IUPAC name of (2R,7S)-2,7-dimethylazocane (CID 146199429) is (2R,7S)-2,7-dimethylazocane.
What is the SMILES notation for (2R,7S)-2,7-dimethylazocane?
The canonical SMILES for (2R,7S)-2,7-dimethylazocane is C[C@H]1CCCC[C@@H](C)NC1.
What is the InChIKey of (2R,7S)-2,7-dimethylazocane?
The InChIKey is PEXNFAMVKZIYFA-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19N/c1-8-5-3-4-6-9(2)10-7-8/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2R,7S)-2,7-dimethylazocane?
(2R,7S)-2,7-dimethylazocane has a molecular weight of 141.26 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-2,7-dimethylazocane is sourced from PubChem (CID 146199429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).