1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine

C10H19NO — CID 130579448

IUPAC1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(C1=COCC1)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-10(2,3)9(11-4)8-5-6-12-7-8/h7,9,11H,5-6H2,1-4H3
InChIKeyQZXBCOXEKLVAOX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.92
Rot. Bonds2

About 1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine

1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine (PubChem CID 130579448) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine
PubChem CID130579448
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(C1=COCC1)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-10(2,3)9(11-4)8-5-6-12-7-8/h7,9,11H,5-6H2,1-4H3
InChIKeyQZXBCOXEKLVAOX-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine (CID 130579448) is 1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine is CNC(C1=COCC1)C(C)(C)C.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is QZXBCOXEKLVAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)9(11-4)8-5-6-12-7-8/h7,9,11H,5-6H2,1-4H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine?
1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 130579448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).