1-methyl-5-propan-2-ylazocane

C11H23N — CID 58035842

IUPAC1-methyl-5-propan-2-ylazocane
SMILESCC(C)C1CCCN(C)CCC1
InChIInChI=1S/C11H23N/c1-10(2)11-6-4-8-12(3)9-5-7-11/h10-11H,4-9H2,1-3H3
InChIKeyLISJHRIJEQNHNG-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds1

About 1-methyl-5-propan-2-ylazocane

1-methyl-5-propan-2-ylazocane (PubChem CID 58035842) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-methyl-5-propan-2-ylazocane.

Molecular Properties

Compound Name1-methyl-5-propan-2-ylazocane
PubChem CID58035842
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-methyl-5-propan-2-ylazocane
SMILESCC(C)C1CCCN(C)CCC1
InChIInChI=1S/C11H23N/c1-10(2)11-6-4-8-12(3)9-5-7-11/h10-11H,4-9H2,1-3H3
InChIKeyLISJHRIJEQNHNG-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-ylazocane?
The IUPAC name of 1-methyl-5-propan-2-ylazocane (CID 58035842) is 1-methyl-5-propan-2-ylazocane.
What is the SMILES notation for 1-methyl-5-propan-2-ylazocane?
The canonical SMILES for 1-methyl-5-propan-2-ylazocane is CC(C)C1CCCN(C)CCC1.
What is the InChIKey of 1-methyl-5-propan-2-ylazocane?
The InChIKey is LISJHRIJEQNHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)11-6-4-8-12(3)9-5-7-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-ylazocane?
1-methyl-5-propan-2-ylazocane has a molecular weight of 169.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-ylazocane is sourced from PubChem (CID 58035842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).