4-(6-methylheptyl)azonane

C16H33N — CID 18957808

IUPAC4-(6-methylheptyl)azonane
SMILESCC(C)CCCCCC1CCCCCNCC1
InChIInChI=1S/C16H33N/c1-15(2)9-5-3-6-10-16-11-7-4-8-13-17-14-12-16/h15-17H,3-14H2,1-2H3
InChIKeyKOLCSFYFMYETPB-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds6

About 4-(6-methylheptyl)azonane

4-(6-methylheptyl)azonane (PubChem CID 18957808) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 4-(6-methylheptyl)azonane.

Molecular Properties

Compound Name4-(6-methylheptyl)azonane
PubChem CID18957808
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name4-(6-methylheptyl)azonane
SMILESCC(C)CCCCCC1CCCCCNCC1
InChIInChI=1S/C16H33N/c1-15(2)9-5-3-6-10-16-11-7-4-8-13-17-14-12-16/h15-17H,3-14H2,1-2H3
InChIKeyKOLCSFYFMYETPB-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

13-methyltetradecylcyclopentane
CID 123698808
4-pentylazecane
CID 166829392
4-methylpentylcyclopentane
CID 523530
1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
CID 123314475
butylcyclohexane;pyrrolidine
CID 145242408
4-hexadecylpiperidine
CID 54096875
4-heptylpiperidine;methane
CID 144690559
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
4-cyclopentylbutylcyclohexane
CID 144547696
1-cyclopentyl-7-methyloctan-3-amine
CID 105028925
3-(6-methylheptyl)cyclohexan-1-ol
CID 177308556
4-(4-methylpentoxy)azepane
CID 63904463

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylheptyl)azonane?
The IUPAC name of 4-(6-methylheptyl)azonane (CID 18957808) is 4-(6-methylheptyl)azonane.
What is the SMILES notation for 4-(6-methylheptyl)azonane?
The canonical SMILES for 4-(6-methylheptyl)azonane is CC(C)CCCCCC1CCCCCNCC1.
What is the InChIKey of 4-(6-methylheptyl)azonane?
The InChIKey is KOLCSFYFMYETPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-15(2)9-5-3-6-10-16-11-7-4-8-13-17-14-12-16/h15-17H,3-14H2,1-2H3.
What are the key properties of 4-(6-methylheptyl)azonane?
4-(6-methylheptyl)azonane has a molecular weight of 239.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylheptyl)azonane is sourced from PubChem (CID 18957808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).