5,5-dimethyl-1-pentylazocane

C14H29N — CID 23377594

IUPAC5,5-dimethyl-1-pentylazocane
SMILESCCCCCN1CCCC(C)(C)CCC1
InChIInChI=1S/C14H29N/c1-4-5-6-11-15-12-7-9-14(2,3)10-8-13-15/h4-13H2,1-3H3
InChIKeyDIBUTPOENMZVQB-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.08
Rot. Bonds4

About 5,5-dimethyl-1-pentylazocane

5,5-dimethyl-1-pentylazocane (PubChem CID 23377594) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 5,5-dimethyl-1-pentylazocane.

Molecular Properties

Compound Name5,5-dimethyl-1-pentylazocane
PubChem CID23377594
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name5,5-dimethyl-1-pentylazocane
SMILESCCCCCN1CCCC(C)(C)CCC1
InChIInChI=1S/C14H29N/c1-4-5-6-11-15-12-7-9-14(2,3)10-8-13-15/h4-13H2,1-3H3
InChIKeyDIBUTPOENMZVQB-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-pentylazocane?
The IUPAC name of 5,5-dimethyl-1-pentylazocane (CID 23377594) is 5,5-dimethyl-1-pentylazocane.
What is the SMILES notation for 5,5-dimethyl-1-pentylazocane?
The canonical SMILES for 5,5-dimethyl-1-pentylazocane is CCCCCN1CCCC(C)(C)CCC1.
What is the InChIKey of 5,5-dimethyl-1-pentylazocane?
The InChIKey is DIBUTPOENMZVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-5-6-11-15-12-7-9-14(2,3)10-8-13-15/h4-13H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-pentylazocane?
5,5-dimethyl-1-pentylazocane has a molecular weight of 211.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-pentylazocane is sourced from PubChem (CID 23377594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).