2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine

C15H28N2O — CID 91546772

IUPAC2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
SMILESCC(C)C1CC(CNCC2C=CC(N)C(C)O2)C1
InChIInChI=1S/C15H28N2O/c1-10(2)13-6-12(7-13)8-17-9-14-4-5-15(16)11(3)18-14/h4-5,10-15,17H,6-9,16H2,1-3H3
InChIKeyPGBWBVUUOFUKOH-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.93
Rot. Bonds5

About 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine

2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine (PubChem CID 91546772) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
PubChem CID91546772
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
SMILESCC(C)C1CC(CNCC2C=CC(N)C(C)O2)C1
InChIInChI=1S/C15H28N2O/c1-10(2)13-6-12(7-13)8-17-9-14-4-5-15(16)11(3)18-14/h4-5,10-15,17H,6-9,16H2,1-3H3
InChIKeyPGBWBVUUOFUKOH-UHFFFAOYSA-N
XLogP1.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine with MolForge

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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
3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 91515269
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
N-(2-propan-2-yloxyethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 104759344
N-[2-(2-methylprop-2-enoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 114465643
N-(2-ethoxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 116125324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
The IUPAC name of 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine (CID 91546772) is 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine.
What is the SMILES notation for 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
The canonical SMILES for 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine is CC(C)C1CC(CNCC2C=CC(N)C(C)O2)C1.
What is the InChIKey of 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
The InChIKey is PGBWBVUUOFUKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10(2)13-6-12(7-13)8-17-9-14-4-5-15(16)11(3)18-14/h4-5,10-15,17H,6-9,16H2,1-3H3.
What are the key properties of 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine has a molecular weight of 252.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 91546772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).