1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine

C11H21NO — CID 102647217

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-3-7-10(12-4-2)11-8-5-6-9-13-11/h8,10,12H,3-7,9H2,1-2H3
InChIKeyBRRDWVMYZHHFRN-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.46
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine (PubChem CID 102647217) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine
PubChem CID102647217
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-3-7-10(12-4-2)11-8-5-6-9-13-11/h8,10,12H,3-7,9H2,1-2H3
InChIKeyBRRDWVMYZHHFRN-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine (CID 102647217) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine is CCCC(NCC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine?
The InChIKey is BRRDWVMYZHHFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-7-10(12-4-2)11-8-5-6-9-13-11/h8,10,12H,3-7,9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 102647217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).