1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine

C11H21NO — CID 102651370

IUPAC1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)C1=CCCO1
InChIInChI=1S/C11H21NO/c1-9(2)6-7-10(12-3)11-5-4-8-13-11/h5,9-10,12H,4,6-8H2,1-3H3
InChIKeyVGKDTFXRCUUIKV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.31
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine

1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine (PubChem CID 102651370) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine
PubChem CID102651370
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)C1=CCCO1
InChIInChI=1S/C11H21NO/c1-9(2)6-7-10(12-3)11-5-4-8-13-11/h5,9-10,12H,4,6-8H2,1-3H3
InChIKeyVGKDTFXRCUUIKV-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.31
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)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine (CID 102651370) is 1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine?
The InChIKey is VGKDTFXRCUUIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)6-7-10(12-3)11-5-4-8-13-11/h5,9-10,12H,4,6-8H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine?
1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.31, 5 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)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 102651370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).