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

C11H21NO — CID 102649526

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-3-9(4-2)11(12)10-7-5-6-8-13-10/h7,9,11H,3-6,8,12H2,1-2H3
InChIKeyLFZLPSJHQDGMAB-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.44
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine (PubChem CID 102649526) 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)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine
PubChem CID102649526
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-3-9(4-2)11(12)10-7-5-6-8-13-10/h7,9,11H,3-6,8,12H2,1-2H3
InChIKeyLFZLPSJHQDGMAB-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butoxy-4-fluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 68244552
3,4-dihydro-2H-pyran-6-yl-(2-fluoro-1-methylcyclopropyl)methanamine
CID 131015027
2-Ethoxy-5-methylhex-1-en-3-amine
CID 88997329
(1R)-1-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 89017377
(1R)-2-methyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017392
(1R)-2-methyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073393
6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
CID 123788725
(3R)-5-ethoxy-3-[(Z)-prop-1-enyl]hepta-5,6-dien-2-amine
CID 124095390
3-Butoxy-5-methylhepta-1,2-dien-4-amine
CID 139394807
(Z)-2-methyl-4-prop-1-en-2-yloxyhex-4-en-3-amine
CID 142180393
(S)-cyclopropyl(2,3-dihydrofuran-5-yl)methanamine
CID 142180780
(Z)-4-ethoxy-2-methylhex-4-en-3-amine
CID 142810073

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine (CID 102649526) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine is CCC(CC)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine?
The InChIKey is LFZLPSJHQDGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9(4-2)11(12)10-7-5-6-8-13-10/h7,9,11H,3-6,8,12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.44, 4 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)-2-ethylbutan-1-amine is sourced from PubChem (CID 102649526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).