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

C13H23NO — CID 103169438

IUPAC2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
SMILESCCNC(CC1CCC1)C1=COCCC1
InChIInChI=1S/C13H23NO/c1-2-14-13(9-11-5-3-6-11)12-7-4-8-15-10-12/h10-11,13-14H,2-9H2,1H3
InChIKeyILAXDVRISWXEBV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds5

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

2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine (PubChem CID 103169438) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
PubChem CID103169438
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
SMILESCCNC(CC1CCC1)C1=COCCC1
InChIInChI=1S/C13H23NO/c1-2-14-13(9-11-5-3-6-11)12-7-4-8-15-10-12/h10-11,13-14H,2-9H2,1H3
InChIKeyILAXDVRISWXEBV-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.85
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
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
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
N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179364
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine?
The IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine (CID 103169438) is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine is CCNC(CC1CCC1)C1=COCCC1.
What is the InChIKey of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine?
The InChIKey is ILAXDVRISWXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-14-13(9-11-5-3-6-11)12-7-4-8-15-10-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine?
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.85, 5 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-ethylethanamine is sourced from PubChem (CID 103169438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).