2,2-dimethylazocane

C9H19N — CID 123664425

IUPAC2,2-dimethylazocane
SMILESCC1(C)CCCCCCN1
InChIInChI=1S/C9H19N/c1-9(2)7-5-3-4-6-8-10-9/h10H,3-8H2,1-2H3
InChIKeyXTDOVUBCMWQDKO-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.32
Rot. Bonds

About 2,2-dimethylazocane

2,2-dimethylazocane (PubChem CID 123664425) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2,2-dimethylazocane.

Molecular Properties

Compound Name2,2-dimethylazocane
PubChem CID123664425
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2,2-dimethylazocane
SMILESCC1(C)CCCCCCN1
InChIInChI=1S/C9H19N/c1-9(2)7-5-3-4-6-8-10-9/h10H,3-8H2,1-2H3
InChIKeyXTDOVUBCMWQDKO-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylazocane?
The IUPAC name of 2,2-dimethylazocane (CID 123664425) is 2,2-dimethylazocane.
What is the SMILES notation for 2,2-dimethylazocane?
The canonical SMILES for 2,2-dimethylazocane is CC1(C)CCCCCCN1.
What is the InChIKey of 2,2-dimethylazocane?
The InChIKey is XTDOVUBCMWQDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2)7-5-3-4-6-8-10-9/h10H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethylazocane?
2,2-dimethylazocane has a molecular weight of 141.26 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylazocane is sourced from PubChem (CID 123664425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).