5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine

C10H21NO — CID 58279920

IUPAC5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine
SMILESCNC1COC(CC(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-10(2,3)6-9-5-8(11-4)7-12-9/h8-9,11H,5-7H2,1-4H3
InChIKeyOYNIJGBCJCZGNT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine

5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine (PubChem CID 58279920) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine
PubChem CID58279920
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine
SMILESCNC1COC(CC(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-10(2,3)6-9-5-8(11-4)7-12-9/h8-9,11H,5-7H2,1-4H3
InChIKeyOYNIJGBCJCZGNT-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine (CID 58279920) is 5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine is CNC1COC(CC(C)(C)C)C1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine?
The InChIKey is OYNIJGBCJCZGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)6-9-5-8(11-4)7-12-9/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine?
5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine is sourced from PubChem (CID 58279920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).