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

C11H19NO — CID 103169437

IUPAC2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine
SMILESNC(CC1CCC1)C1=COCCC1
InChIInChI=1S/C11H19NO/c12-11(7-9-3-1-4-9)10-5-2-6-13-8-10/h8-9,11H,1-7,12H2
InChIKeyAHFNTSDOEQKUKJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.20
Rot. Bonds3

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

2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine (PubChem CID 103169437) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine
PubChem CID103169437
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine
SMILESNC(CC1CCC1)C1=COCCC1
InChIInChI=1S/C11H19NO/c12-11(7-9-3-1-4-9)10-5-2-6-13-8-10/h8-9,11H,1-7,12H2
InChIKeyAHFNTSDOEQKUKJ-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorocyclobutan-1-amine
CID 104059472
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105179375
3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105179426
3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 113689500
3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 113689508
3-Methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038289
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine
CID 103029310
1-(Cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163055
1-(3-Ethoxycyclobutyl)-4-methylpent-4-en-2-amine
CID 103169031
1-(3-Ethoxycyclobutyl)-3-methylbut-3-en-2-amine
CID 103169046
1-(3-Ethoxycyclobutyl)-4-methylidenehexan-2-amine
CID 103169054
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 103169433

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine (CID 103169437) is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine is NC(CC1CCC1)C1=COCCC1.
What is the InChIKey of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
The InChIKey is AHFNTSDOEQKUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-11(7-9-3-1-4-9)10-5-2-6-13-8-10/h8-9,11H,1-7,12H2.
What are the key properties of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine?
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.20, 3 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)ethanamine is sourced from PubChem (CID 103169437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).