3-tert-butyl-N-methyloxolan-3-amine

C9H19NO — CID 167376204

IUPAC3-tert-butyl-N-methyloxolan-3-amine
SMILESCNC1(C(C)(C)C)CCOC1
InChIInChI=1S/C9H19NO/c1-8(2,3)9(10-4)5-6-11-7-9/h10H,5-7H2,1-4H3
InChIKeyFOHCZPPZMAVWEU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds1

About 3-tert-butyl-N-methyloxolan-3-amine

3-tert-butyl-N-methyloxolan-3-amine (PubChem CID 167376204) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-tert-butyl-N-methyloxolan-3-amine.

Molecular Properties

Compound Name3-tert-butyl-N-methyloxolan-3-amine
PubChem CID167376204
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-tert-butyl-N-methyloxolan-3-amine
SMILESCNC1(C(C)(C)C)CCOC1
InChIInChI=1S/C9H19NO/c1-8(2,3)9(10-4)5-6-11-7-9/h10H,5-7H2,1-4H3
InChIKeyFOHCZPPZMAVWEU-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-methyloxolan-3-amine?
The IUPAC name of 3-tert-butyl-N-methyloxolan-3-amine (CID 167376204) is 3-tert-butyl-N-methyloxolan-3-amine.
What is the SMILES notation for 3-tert-butyl-N-methyloxolan-3-amine?
The canonical SMILES for 3-tert-butyl-N-methyloxolan-3-amine is CNC1(C(C)(C)C)CCOC1.
What is the InChIKey of 3-tert-butyl-N-methyloxolan-3-amine?
The InChIKey is FOHCZPPZMAVWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)9(10-4)5-6-11-7-9/h10H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-N-methyloxolan-3-amine?
3-tert-butyl-N-methyloxolan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-methyloxolan-3-amine is sourced from PubChem (CID 167376204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).