1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine

C11H19NO — CID 102647502

IUPAC1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)C1CCC1
InChIInChI=1S/C11H19NO/c1-12-11(9-5-4-6-9)10-7-2-3-8-13-10/h7,9,11-12H,2-6,8H2,1H3
InChIKeyABBCPMSUBPBGGB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.07
Rot. Bonds3

About 1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine

1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine (PubChem CID 102647502) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
PubChem CID102647502
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)C1CCC1
InChIInChI=1S/C11H19NO/c1-12-11(9-5-4-6-9)10-7-2-3-8-13-10/h7,9,11-12H,2-6,8H2,1H3
InChIKeyABBCPMSUBPBGGB-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 130920826
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-cyclohexa-2,4-dien-1-yl-3-ethoxy-N-methylbut-3-en-2-amine
CID 91280117
3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 126745654
1-(3,4-dihydro-2H-pyran-6-yl)-N,3-dimethylbutan-1-amine
CID 102647186
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
1-(3,4-dihydro-2H-pyran-6-yl)-3-methyl-N-propylbutan-1-amine
CID 102647188
1-(3,4-dihydro-2H-pyran-6-yl)-N,2-dimethylpropan-1-amine
CID 102647192
1-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647213
N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647214
N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647215

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The IUPAC name of 1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine (CID 102647502) is 1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine is CNC(C1=CCCCO1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
The InChIKey is ABBCPMSUBPBGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12-11(9-5-4-6-9)10-7-2-3-8-13-10/h7,9,11-12H,2-6,8H2,1H3.
What are the key properties of 1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine?
1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine is sourced from PubChem (CID 102647502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).