1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine

C10H19NO — CID 102651552

IUPAC1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CC(N)C1=CCCO1
InChIInChI=1S/C10H19NO/c1-10(2,3)7-8(11)9-5-4-6-12-9/h5,8H,4,6-7,11H2,1-3H3
InChIKeyGOYRBPLHLXJBFC-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds2

About 1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine

1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine (PubChem CID 102651552) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine
PubChem CID102651552
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CC(N)C1=CCCO1
InChIInChI=1S/C10H19NO/c1-10(2,3)7-8(11)9-5-4-6-12-9/h5,8H,4,6-7,11H2,1-3H3
InChIKeyGOYRBPLHLXJBFC-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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-5-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine (CID 102651552) is 1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine is CC(C)(C)CC(N)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is GOYRBPLHLXJBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)7-8(11)9-5-4-6-12-9/h5,8H,4,6-7,11H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine?
1-(2,3-dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.05, 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-5-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 102651552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).