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

C12H23NO — CID 102647446

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(C1=CCCCO1)C(C)CC
InChIInChI=1S/C12H23NO/c1-4-10(3)12(13-5-2)11-8-6-7-9-14-11/h8,10,12-13H,4-7,9H2,1-3H3
InChIKeyWBCKUPYYMFARSW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.70
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 102647446) 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-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine
PubChem CID102647446
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(C1=CCCCO1)C(C)CC
InChIInChI=1S/C12H23NO/c1-4-10(3)12(13-5-2)11-8-6-7-9-14-11/h8,10,12-13H,4-7,9H2,1-3H3
InChIKeyWBCKUPYYMFARSW-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

5-(Fluoromethoxy)-2-(3-methylbut-3-en-2-yl)-1,2,3,6-tetrahydropyridine
CID 90736308
2-But-3-en-2-yl-5-(2,2-difluorobutoxy)-1,2,3,6-tetrahydropyridine
CID 91029455
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102647827
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312383
(3R)-6-(ethylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 68111938
6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine
CID 89088362
(1S)-1-cyclohexa-2,4-dien-1-yl-N-(2-methoxyethyl)prop-2-en-1-amine
CID 89290271
N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine
CID 90981708
3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 91112845
1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine
CID 91173904

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine (CID 102647446) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine is CCNC(C1=CCCCO1)C(C)CC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is WBCKUPYYMFARSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(3)12(13-5-2)11-8-6-7-9-14-11/h8,10,12-13H,4-7,9H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-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-2-methylbutan-1-amine is sourced from PubChem (CID 102647446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).