N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine

C11H19NO — CID 115742241

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine
SMILESCC1CC(NCC2=CCCOC2)C1
InChIInChI=1S/C11H19NO/c1-9-5-11(6-9)12-7-10-3-2-4-13-8-10/h3,9,11-12H,2,4-8H2,1H3
InChIKeyQULZCAPIAIFXPS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine (PubChem CID 115742241) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine
PubChem CID115742241
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine
SMILESCC1CC(NCC2=CCCOC2)C1
InChIInChI=1S/C11H19NO/c1-9-5-11(6-9)12-7-10-3-2-4-13-8-10/h3,9,11-12H,2,4-8H2,1H3
InChIKeyQULZCAPIAIFXPS-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
CID 90873463
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
4-(3-Methylbutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404465
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine
CID 114413411
1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]-N-methylmethanamine
CID 114413412
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine
CID 114413479
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 114413542
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]ethanamine
CID 114413558
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
CID 115674325
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 115674379

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine (CID 115742241) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine is CC1CC(NCC2=CCCOC2)C1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine?
The InChIKey is QULZCAPIAIFXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-5-11(6-9)12-7-10-3-2-4-13-8-10/h3,9,11-12H,2,4-8H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115742241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).