1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine

C10H19NO — CID 130579941

IUPAC1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)C1=COCC1
InChIInChI=1S/C10H19NO/c1-4-10(2,3)9(11)8-5-6-12-7-8/h7,9H,4-6,11H2,1-3H3
InChIKeyMDVPSLRVSARGGQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds3

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

1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine (PubChem CID 130579941) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine
PubChem CID130579941
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)C1=COCC1
InChIInChI=1S/C10H19NO/c1-4-10(2,3)9(11)8-5-6-12-7-8/h7,9H,4-6,11H2,1-3H3
InChIKeyMDVPSLRVSARGGQ-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-4-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine (CID 130579941) is 1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is MDVPSLRVSARGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(2,3)9(11)8-5-6-12-7-8/h7,9H,4-6,11H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine?
1-(2,3-dihydrofuran-4-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.05, 3 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)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 130579941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).