3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine

C11H17N3O — CID 141424908

IUPAC3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine
SMILESCNC1C=C(n2ccnc2)COC1(C)C
InChIInChI=1S/C11H17N3O/c1-11(2)10(12-3)6-9(7-15-11)14-5-4-13-8-14/h4-6,8,10,12H,7H2,1-3H3
InChIKeyKKZAORHJVWZPIF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.12
Rot. Bonds2

About 3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine

3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine (PubChem CID 141424908) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine
PubChem CID141424908
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine
SMILESCNC1C=C(n2ccnc2)COC1(C)C
InChIInChI=1S/C11H17N3O/c1-11(2)10(12-3)6-9(7-15-11)14-5-4-13-8-14/h4-6,8,10,12H,7H2,1-3H3
InChIKeyKKZAORHJVWZPIF-UHFFFAOYSA-N
XLogP1.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine?
The IUPAC name of 3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine (CID 141424908) is 3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine.
What is the SMILES notation for 3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine?
The canonical SMILES for 3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine is CNC1C=C(n2ccnc2)COC1(C)C.
What is the InChIKey of 3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine?
The InChIKey is KKZAORHJVWZPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2)10(12-3)6-9(7-15-11)14-5-4-13-8-14/h4-6,8,10,12H,7H2,1-3H3.
What are the key properties of 3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine?
3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine has a molecular weight of 207.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine is sourced from PubChem (CID 141424908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).