1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

C11H17N3O — CID 63292080

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCC1CCC=CO1
InChIInChI=1S/C11H17N3O/c1-14-6-5-13-11(14)9-12-8-10-4-2-3-7-15-10/h3,5-7,10,12H,2,4,8-9H2,1H3
InChIKeyNRJBPEHQAQZVRO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.20
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 63292080) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID63292080
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCC1CCC=CO1
InChIInChI=1S/C11H17N3O/c1-14-6-5-13-11(14)9-12-8-10-4-2-3-7-15-10/h3,5-7,10,12H,2,4,8-9H2,1H3
InChIKeyNRJBPEHQAQZVRO-UHFFFAOYSA-N
XLogP1.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 63292080) is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cn1ccnc1CNCC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is NRJBPEHQAQZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-6-5-13-11(14)9-12-8-10-4-2-3-7-15-10/h3,5-7,10,12H,2,4,8-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 207.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 63292080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).