3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine

C10H19NO — CID 103392358

IUPAC3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine
SMILESCC(=CC1CCC(C)(C)O1)CN
InChIInChI=1S/C10H19NO/c1-8(7-11)6-9-4-5-10(2,3)12-9/h6,9H,4-5,7,11H2,1-3H3
InChIKeyQAILMKQBKFZSKS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds2

About 3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine

3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 103392358) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine
PubChem CID103392358
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine
SMILESCC(=CC1CCC(C)(C)O1)CN
InChIInChI=1S/C10H19NO/c1-8(7-11)6-9-4-5-10(2,3)12-9/h6,9H,4-5,7,11H2,1-3H3
InChIKeyQAILMKQBKFZSKS-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine (CID 103392358) is 3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine is CC(=CC1CCC(C)(C)O1)CN.
What is the InChIKey of 3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is QAILMKQBKFZSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(7-11)6-9-4-5-10(2,3)12-9/h6,9H,4-5,7,11H2,1-3H3.
What are the key properties of 3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine?
3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyloxolan-2-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 103392358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).