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

C11H21NO — CID 102648986

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-8(2)9(3)11(12)10-6-4-5-7-13-10/h6,8-9,11H,4-5,7,12H2,1-3H3
InChIKeySFDQNEPSRJVAMR-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.30
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine (PubChem CID 102648986) 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)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine
PubChem CID102648986
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-8(2)9(3)11(12)10-6-4-5-7-13-10/h6,8-9,11H,4-5,7,12H2,1-3H3
InChIKeySFDQNEPSRJVAMR-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443565
2-Ethoxy-5-methylhex-1-en-3-amine
CID 88997329
(1R)-2-methyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073393
(Z)-4-ethoxy-2-methylhex-4-en-3-amine
CID 142810073
ethane;(Z,3R)-4-ethenoxy-7-methylnon-4-en-3-amine
CID 142856850
2-(2-Ethylhexoxy)cyclohexa-2,5-diene-1,4-diamine
CID 155396948
(E,2S)-3-(2-ethylbutoxy)pent-3-en-2-amine;methane;molecular hydrogen
CID 178063295
2-[(6-Methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
CID 62455176
2-[(6-Methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
CID 62455548
3-Methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
CID 62455918
2-[(6-Methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
CID 83044283
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
CID 102647130

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine (CID 102648986) is 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine is CC(C)C(C)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine?
The InChIKey is SFDQNEPSRJVAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)9(3)11(12)10-6-4-5-7-13-10/h6,8-9,11H,4-5,7,12H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylbutan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.30, 3 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)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 102648986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).