1-methyl-1-propan-2-ylcyclononane

C13H25+ — CID 90715684

IUPAC1-methyl-1-propan-2-ylcyclononane
SMILESC[C+](C)C1(C)CCCCCCCC1
InChIInChI=1S/C13H25/c1-12(2)13(3)10-8-6-4-5-7-9-11-13/h4-11H2,1-3H3/q+1
InChIKeyLKFVCXHCHMIUFC-UHFFFAOYSA-N
MW181.34 g/mol
LogP4.74
Rot. Bonds1

About 1-methyl-1-propan-2-ylcyclononane

1-methyl-1-propan-2-ylcyclononane (PubChem CID 90715684) has the molecular formula C13H25+ and a molecular weight of 181.34 g/mol. Its IUPAC name is 1-methyl-1-propan-2-ylcyclononane.

Molecular Properties

Compound Name1-methyl-1-propan-2-ylcyclononane
PubChem CID90715684
Molecular FormulaC13H25+
Molecular Weight181.34 g/mol
Exact Mass181.20
IUPAC Name1-methyl-1-propan-2-ylcyclononane
SMILESC[C+](C)C1(C)CCCCCCCC1
InChIInChI=1S/C13H25/c1-12(2)13(3)10-8-6-4-5-7-9-11-13/h4-11H2,1-3H3/q+1
InChIKeyLKFVCXHCHMIUFC-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propan-2-ylcyclononane?
The IUPAC name of 1-methyl-1-propan-2-ylcyclononane (CID 90715684) is 1-methyl-1-propan-2-ylcyclononane.
What is the SMILES notation for 1-methyl-1-propan-2-ylcyclononane?
The canonical SMILES for 1-methyl-1-propan-2-ylcyclononane is C[C+](C)C1(C)CCCCCCCC1.
What is the InChIKey of 1-methyl-1-propan-2-ylcyclononane?
The InChIKey is LKFVCXHCHMIUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25/c1-12(2)13(3)10-8-6-4-5-7-9-11-13/h4-11H2,1-3H3/q+1.
What are the key properties of 1-methyl-1-propan-2-ylcyclononane?
1-methyl-1-propan-2-ylcyclononane has a molecular weight of 181.34 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propan-2-ylcyclononane is sourced from PubChem (CID 90715684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).