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

C12H23NO — CID 102647187

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)C1=CCCCO1
InChIInChI=1S/C12H23NO/c1-4-13-11(9-10(2)3)12-7-5-6-8-14-12/h7,10-11,13H,4-6,8-9H2,1-3H3
InChIKeyLSNRABUEEQNWJT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 102647187) 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-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
PubChem CID102647187
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)C1=CCCCO1
InChIInChI=1S/C12H23NO/c1-4-13-11(9-10(2)3)12-7-5-6-8-14-12/h7,10-11,13H,4-6,8-9H2,1-3H3
InChIKeyLSNRABUEEQNWJT-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(2,3-dihydrofuran-5-yl)-N-ethyl-3-methylpentan-1-amine
CID 102653276
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
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)-N-ethyl-3-propoxypropan-1-amine
CID 102648757
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102653222
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
[1-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentyl]hydrazine
CID 102650409
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-ethyl-2-methylsulfonylpropan-1-amine
CID 102649580
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
CID 102647493
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine (CID 102647187) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is LSNRABUEEQNWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13-11(9-10(2)3)12-7-5-6-8-14-12/h7,10-11,13H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.70, 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-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 102647187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).