1,3,7-trimethyl-1-propylcyclononane

C15H30 — CID 123829205

IUPAC1,3,7-trimethyl-1-propylcyclononane
SMILESCCCC1(C)CCC(C)CCCC(C)C1
InChIInChI=1S/C15H30/c1-5-10-15(4)11-9-13(2)7-6-8-14(3)12-15/h13-14H,5-12H2,1-4H3
InChIKeyYYBWZYSTFHAWIM-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.42
Rot. Bonds2

About 1,3,7-trimethyl-1-propylcyclononane

1,3,7-trimethyl-1-propylcyclononane (PubChem CID 123829205) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,3,7-trimethyl-1-propylcyclononane.

Molecular Properties

Compound Name1,3,7-trimethyl-1-propylcyclononane
PubChem CID123829205
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,3,7-trimethyl-1-propylcyclononane
SMILESCCCC1(C)CCC(C)CCCC(C)C1
InChIInChI=1S/C15H30/c1-5-10-15(4)11-9-13(2)7-6-8-14(3)12-15/h13-14H,5-12H2,1-4H3
InChIKeyYYBWZYSTFHAWIM-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-1,3-dimethylcyclopentane
CID 123273889
1-ethyl-1,4-dimethylcycloheptane
CID 91266372
(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
1,3-dimethyl-1-(3-methylbutyl)cyclopentane
CID 91534929
3-methyl-3-propylbicyclo[4.2.0]octane
CID 148753251
N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine
CID 138507678
ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane
CID 145106735
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
3,3,6-trimethylcyclononan-1-amine
CID 170122621
8-methyl-1-propyltricyclo[10.6.2.24,15]docosane
CID 135018291
butane;methylcyclopentane
CID 142053859
(1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol
CID 10631367

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-1-propylcyclononane?
The IUPAC name of 1,3,7-trimethyl-1-propylcyclononane (CID 123829205) is 1,3,7-trimethyl-1-propylcyclononane.
What is the SMILES notation for 1,3,7-trimethyl-1-propylcyclononane?
The canonical SMILES for 1,3,7-trimethyl-1-propylcyclononane is CCCC1(C)CCC(C)CCCC(C)C1.
What is the InChIKey of 1,3,7-trimethyl-1-propylcyclononane?
The InChIKey is YYBWZYSTFHAWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-5-10-15(4)11-9-13(2)7-6-8-14(3)12-15/h13-14H,5-12H2,1-4H3.
What are the key properties of 1,3,7-trimethyl-1-propylcyclononane?
1,3,7-trimethyl-1-propylcyclononane has a molecular weight of 210.40 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-1-propylcyclononane is sourced from PubChem (CID 123829205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).