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

C11H20N2O — CID 143974257

IUPAC3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
SMILESNC1CC(CNCC2C=CCCO2)C1
InChIInChI=1S/C11H20N2O/c12-10-5-9(6-10)7-13-8-11-3-1-2-4-14-11/h1,3,9-11,13H,2,4-8,12H2
InChIKeyQSHTWKMPLKRQKS-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.66
Rot. Bonds4

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

3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine (PubChem CID 143974257) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
PubChem CID143974257
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
SMILESNC1CC(CNCC2C=CCCO2)C1
InChIInChI=1S/C11H20N2O/c12-10-5-9(6-10)7-13-8-11-3-1-2-4-14-11/h1,3,9-11,13H,2,4-8,12H2
InChIKeyQSHTWKMPLKRQKS-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
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

(2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-2-ol
CID 68199020
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
3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 91515269
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;ethane
CID 143974272

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine (CID 143974257) is 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine is NC1CC(CNCC2C=CCCO2)C1.
What is the InChIKey of 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine?
The InChIKey is QSHTWKMPLKRQKS-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/h1,3,9-11,13H,2,4-8,12H2.
What are the key properties of 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine?
3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 143974257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).