1,3,6-triethyl-2-methylcyclononane

C16H32 — CID 58552764

IUPAC1,3,6-triethyl-2-methylcyclononane
SMILESCCC1CCCC(CC)C(C)C(CC)CC1
InChIInChI=1S/C16H32/c1-5-14-9-8-10-15(6-2)13(4)16(7-3)12-11-14/h13-16H,5-12H2,1-4H3
InChIKeyCIWLKQMZNFSLMQ-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds3

About 1,3,6-triethyl-2-methylcyclononane

1,3,6-triethyl-2-methylcyclononane (PubChem CID 58552764) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1,3,6-triethyl-2-methylcyclononane.

Molecular Properties

Compound Name1,3,6-triethyl-2-methylcyclononane
PubChem CID58552764
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1,3,6-triethyl-2-methylcyclononane
SMILESCCC1CCCC(CC)C(C)C(CC)CC1
InChIInChI=1S/C16H32/c1-5-14-9-8-10-15(6-2)13(4)16(7-3)12-11-14/h13-16H,5-12H2,1-4H3
InChIKeyCIWLKQMZNFSLMQ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,6-triethyl-2-methylcyclononane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-diethyl-2-methylcyclopentane
CID 123589151
cyclopropane;ethylcyclobutane;propane
CID 142456817
ethylcyclobutane;methanamine
CID 175532329
ethane;ethene;ethylcyclobutane
CID 164586585
1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane
CID 143599069
cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
CID 158476891
chromium;bis(ethylcyclopentane)
CID 91996240
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethane;bis(ethylcyclopentane)
CID 158911237
azane;ethylcyclopropane
CID 20975579

Frequently Asked Questions

What is the IUPAC name of 1,3,6-triethyl-2-methylcyclononane?
The IUPAC name of 1,3,6-triethyl-2-methylcyclononane (CID 58552764) is 1,3,6-triethyl-2-methylcyclononane.
What is the SMILES notation for 1,3,6-triethyl-2-methylcyclononane?
The canonical SMILES for 1,3,6-triethyl-2-methylcyclononane is CCC1CCCC(CC)C(C)C(CC)CC1.
What is the InChIKey of 1,3,6-triethyl-2-methylcyclononane?
The InChIKey is CIWLKQMZNFSLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-5-14-9-8-10-15(6-2)13(4)16(7-3)12-11-14/h13-16H,5-12H2,1-4H3.
What are the key properties of 1,3,6-triethyl-2-methylcyclononane?
1,3,6-triethyl-2-methylcyclononane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-triethyl-2-methylcyclononane is sourced from PubChem (CID 58552764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).