3,3-dimethylazocane;methane

C10H23N — CID 144639099

IUPAC3,3-dimethylazocane;methane
SMILESC.CC1(C)CCCCCNC1
InChIInChI=1S/C9H19N.CH4/c1-9(2)6-4-3-5-7-10-8-9;/h10H,3-8H2,1-2H3;1H4
InChIKeyKSKFFXBXYZEZPJ-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.81
Rot. Bonds

About 3,3-dimethylazocane;methane

3,3-dimethylazocane;methane (PubChem CID 144639099) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3,3-dimethylazocane;methane.

Molecular Properties

Compound Name3,3-dimethylazocane;methane
PubChem CID144639099
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3,3-dimethylazocane;methane
SMILESC.CC1(C)CCCCCNC1
InChIInChI=1S/C9H19N.CH4/c1-9(2)6-4-3-5-7-10-8-9;/h10H,3-8H2,1-2H3;1H4
InChIKeyKSKFFXBXYZEZPJ-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;methane;piperidine
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylazocane;methane?
The IUPAC name of 3,3-dimethylazocane;methane (CID 144639099) is 3,3-dimethylazocane;methane.
What is the SMILES notation for 3,3-dimethylazocane;methane?
The canonical SMILES for 3,3-dimethylazocane;methane is C.CC1(C)CCCCCNC1.
What is the InChIKey of 3,3-dimethylazocane;methane?
The InChIKey is KSKFFXBXYZEZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.CH4/c1-9(2)6-4-3-5-7-10-8-9;/h10H,3-8H2,1-2H3;1H4.
What are the key properties of 3,3-dimethylazocane;methane?
3,3-dimethylazocane;methane has a molecular weight of 157.30 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylazocane;methane is sourced from PubChem (CID 144639099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).