1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine

C12H25N3O — CID 101179495

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine
SMILESCN(C)C(C1=CCCCO1)(N(C)C)N(C)C
InChIInChI=1S/C12H25N3O/c1-13(2)12(14(3)4,15(5)6)11-9-7-8-10-16-11/h9H,7-8,10H2,1-6H3
InChIKeyCXODUXZHRFORMH-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.02
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine

1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine (PubChem CID 101179495) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine
PubChem CID101179495
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine
SMILESCN(C)C(C1=CCCCO1)(N(C)C)N(C)C
InChIInChI=1S/C12H25N3O/c1-13(2)12(14(3)4,15(5)6)11-9-7-8-10-16-11/h9H,7-8,10H2,1-6H3
InChIKeyCXODUXZHRFORMH-UHFFFAOYSA-N
XLogP1.02
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine (CID 101179495) is 1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine is CN(C)C(C1=CCCCO1)(N(C)C)N(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine?
The InChIKey is CXODUXZHRFORMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-13(2)12(14(3)4,15(5)6)11-9-7-8-10-16-11/h9H,7-8,10H2,1-6H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine has a molecular weight of 227.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N,N,N',N',N",N"-hexamethylmethanetriamine is sourced from PubChem (CID 101179495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).