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

C12H23NO — CID 102647225

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(C1=CCCCO1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-5-13-11(12(2,3)4)10-8-6-7-9-14-10/h8,11,13H,5-7,9H2,1-4H3
InChIKeyDTKWZARKQCQSFE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 102647225) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID102647225
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(C1=CCCCO1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-5-13-11(12(2,3)4)10-8-6-7-9-14-10/h8,11,13H,5-7,9H2,1-4H3
InChIKeyDTKWZARKQCQSFE-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 102648094
N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 102648838
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 102647694
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 102649580
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
CID 102648061
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 102647764
[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 102650063
N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102649448
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine
CID 102648757
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 102647727

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 102647225) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNC(C1=CCCCO1)C(C)(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is DTKWZARKQCQSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-13-11(12(2,3)4)10-8-6-7-9-14-10/h8,11,13H,5-7,9H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.70, 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)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 102647225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).