2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine

C12H21NO — CID 103169433

IUPAC2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
SMILESCNC(CC1CCC1)C1=COCCC1
InChIInChI=1S/C12H21NO/c1-13-12(8-10-4-2-5-10)11-6-3-7-14-9-11/h9-10,12-13H,2-8H2,1H3
InChIKeyODSCOCSFRGYIHA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.46
Rot. Bonds4

About 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine

2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine (PubChem CID 103169433) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
PubChem CID103169433
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
SMILESCNC(CC1CCC1)C1=COCCC1
InChIInChI=1S/C12H21NO/c1-13-12(8-10-4-2-5-10)11-6-3-7-14-9-11/h9-10,12-13H,2-8H2,1H3
InChIKeyODSCOCSFRGYIHA-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312261
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105179251
N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179253
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179256
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179285
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105179333
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105179349
1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105179389
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179402
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105179435
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105179436
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179452

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine (CID 103169433) is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine is CNC(CC1CCC1)C1=COCCC1.
What is the InChIKey of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The InChIKey is ODSCOCSFRGYIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-12(8-10-4-2-5-10)11-6-3-7-14-9-11/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine is sourced from PubChem (CID 103169433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).