3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine

C12H22N2O — CID 91515269

IUPAC3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
SMILESCC1C=CC(CNCC2CC(N)C2)OC1
InChIInChI=1S/C12H22N2O/c1-9-2-3-12(15-8-9)7-14-6-10-4-11(13)5-10/h2-3,9-12,14H,4-8,13H2,1H3
InChIKeyLLXQZDLWDVEJOI-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.90
Rot. Bonds4

About 3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine

3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine (PubChem CID 91515269) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
PubChem CID91515269
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
SMILESCC1C=CC(CNCC2CC(N)C2)OC1
InChIInChI=1S/C12H22N2O/c1-9-2-3-12(15-8-9)7-14-6-10-4-11(13)5-10/h2-3,9-12,14H,4-8,13H2,1H3
InChIKeyLLXQZDLWDVEJOI-UHFFFAOYSA-N
XLogP0.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
CID 90769866
6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
CID 90873463
N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
CID 91094343
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N-methylpropane-1,3-diamine
CID 91198611
2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
CID 91546772
3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 143974257
3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane
CID 143974272

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine (CID 91515269) is 3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine is CC1C=CC(CNCC2CC(N)C2)OC1.
What is the InChIKey of 3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine?
The InChIKey is LLXQZDLWDVEJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-2-3-12(15-8-9)7-14-6-10-4-11(13)5-10/h2-3,9-12,14H,4-8,13H2,1H3.
What are the key properties of 3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine?
3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 91515269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).