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

C11H21NO — CID 102648872

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-4-11(2,3)10(12)9-7-5-6-8-13-9/h7,10H,4-6,8,12H2,1-3H3
InChIKeyFQGXMYJVAMCREK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.44
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine (PubChem CID 102648872) 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)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine
PubChem CID102648872
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)C1=CCCCO1
InChIInChI=1S/C11H21NO/c1-4-11(2,3)10(12)9-7-5-6-8-13-9/h7,10H,4-6,8,12H2,1-3H3
InChIKeyFQGXMYJVAMCREK-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(2-fluoro-1-methylcyclopropyl)methanamine
CID 131015027
(1R)-2,2-dimethyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017378
(1R)-2,2-dimethyl-1-(3-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142180522
(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine
CID 142810533
(Z,3R)-2,2,7,7-tetramethyl-4-[(Z)-prop-1-enoxy]oct-4-en-3-amine
CID 143080311
(Z)-1-(3-ethyloxetan-3-yl)-2-prop-1-en-2-yloxybut-2-en-1-amine
CID 145566369
(E,2S)-3-(2-ethylbutoxy)pent-3-en-2-amine;methane;molecular hydrogen
CID 178063295
(3R,4E)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-amine
CID 51353830
(3S,4E)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-amine
CID 51357775
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
CID 102647130
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-amine
CID 102647132
1-(3,4-dihydro-2H-pyran-6-yl)butan-1-amine
CID 102647141

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine (CID 102648872) is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is FQGXMYJVAMCREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(2,3)10(12)9-7-5-6-8-13-9/h7,10H,4-6,8,12H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.44, 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)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 102648872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).