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

C13H26N2O — CID 143974272

IUPAC3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane
SMILESCC.NC1CC(CNCC2C=CCCO2)C1
InChIInChI=1S/C11H20N2O.C2H6/c12-10-5-9(6-10)7-13-8-11-3-1-2-4-14-11;1-2/h1,3,9-11,13H,2,4-8,12H2;1-2H3
InChIKeyIWTWLJPWBAXHIQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.68
Rot. Bonds4

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

3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane (PubChem CID 143974272) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane.

Molecular Properties

Compound Name3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane
PubChem CID143974272
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane
SMILESCC.NC1CC(CNCC2C=CCCO2)C1
InChIInChI=1S/C11H20N2O.C2H6/c12-10-5-9(6-10)7-13-8-11-3-1-2-4-14-11;1-2/h1,3,9-11,13H,2,4-8,12H2;1-2H3
InChIKeyIWTWLJPWBAXHIQ-UHFFFAOYSA-N
XLogP1.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.68
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
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
CID 143974257

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane?
The IUPAC name of 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane (CID 143974272) is 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane.
What is the SMILES notation for 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane?
The canonical SMILES for 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane is CC.NC1CC(CNCC2C=CCCO2)C1.
What is the InChIKey of 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane?
The InChIKey is IWTWLJPWBAXHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.C2H6/c12-10-5-9(6-10)7-13-8-11-3-1-2-4-14-11;1-2/h1,3,9-11,13H,2,4-8,12H2;1-2H3.
What are the key properties of 3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane?
3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane has a molecular weight of 226.36 g/mol, XLogP of 1.68, 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;ethane is sourced from PubChem (CID 143974272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).