3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine

C11H20N2O — CID 126745654

IUPAC3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
SMILESNC1CC(CNCC2=CCCCO2)C1
InChIInChI=1S/C11H20N2O/c12-10-5-9(6-10)7-13-8-11-3-1-2-4-14-11/h3,9-10,13H,1-2,4-8,12H2
InChIKeyCISBJZKCTKGHDD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.01
Rot. Bonds4

About 3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine

3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine (PubChem CID 126745654) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
PubChem CID126745654
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
SMILESNC1CC(CNCC2=CCCCO2)C1
InChIInChI=1S/C11H20N2O/c12-10-5-9(6-10)7-13-8-11-3-1-2-4-14-11/h3,9-10,13H,1-2,4-8,12H2
InChIKeyCISBJZKCTKGHDD-UHFFFAOYSA-N
XLogP1.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine (CID 126745654) is 3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine is NC1CC(CNCC2=CCCCO2)C1.
What is the InChIKey of 3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine?
The InChIKey is CISBJZKCTKGHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-10-5-9(6-10)7-13-8-11-3-1-2-4-14-11/h3,9-10,13H,1-2,4-8,12H2.
What are the key properties of 3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine?
3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 126745654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).