3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine

C10H15N3O — CID 121317551

IUPAC3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine
SMILESCC1(C)OCC(n2ccnc2)=CC1N
InChIInChI=1S/C10H15N3O/c1-10(2)9(11)5-8(6-14-10)13-4-3-12-7-13/h3-5,7,9H,6,11H2,1-2H3
InChIKeyLNLRADUJKJVUBL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.86
Rot. Bonds1

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

3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine (PubChem CID 121317551) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine
PubChem CID121317551
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine
SMILESCC1(C)OCC(n2ccnc2)=CC1N
InChIInChI=1S/C10H15N3O/c1-10(2)9(11)5-8(6-14-10)13-4-3-12-7-13/h3-5,7,9H,6,11H2,1-2H3
InChIKeyLNLRADUJKJVUBL-UHFFFAOYSA-N
XLogP0.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Imidazol-1-ylpropoxy)cyclohexa-1,5-dien-1-amine
CID 117756288
3-Imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-ol
CID 117763791
3-imidazol-1-yl-6,6-dimethyl-2H-pyran-5-one
CID 117763941
1-(5-Azido-6,6-dimethyl-5,6-dihydro-2H-pyran-3-yl)-1H-imidazole
CID 117764659
3-imidazol-1-yl-6-methoxy-N,6-dimethylcyclohex-2-en-1-amine
CID 141424906
3-imidazol-1-yl-N,6,6-trimethyl-2,5-dihydropyran-5-amine
CID 141424908
1-(1-Methoxycyclohexa-2,5-dien-1-yl)imidazole
CID 174768478
4-(1H-Imidazol-1-yl)-5,5-dimethylfuran-2(5H)-imine
CID 13101626
5-Ethyl-4-imidazol-1-yl-5-methylfuran-2-imine
CID 86258578
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 115741735

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine?
The IUPAC name of 3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine (CID 121317551) is 3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine.
What is the SMILES notation for 3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine?
The canonical SMILES for 3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine is CC1(C)OCC(n2ccnc2)=CC1N.
What is the InChIKey of 3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine?
The InChIKey is LNLRADUJKJVUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2)9(11)5-8(6-14-10)13-4-3-12-7-13/h3-5,7,9H,6,11H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine?
3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine has a molecular weight of 193.25 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-6,6-dimethyl-2,5-dihydropyran-5-amine is sourced from PubChem (CID 121317551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).