1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine

C10H17N3O — CID 82400231

IUPAC1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cn1cnc2c1COCC2
InChIInChI=1S/C10H17N3O/c1-10(2,11)6-13-7-12-8-3-4-14-5-9(8)13/h7H,3-6,11H2,1-2H3
InChIKeyKXMSJWRKPFVURP-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.69
Rot. Bonds2

About 1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine

1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine (PubChem CID 82400231) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine
PubChem CID82400231
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cn1cnc2c1COCC2
InChIInChI=1S/C10H17N3O/c1-10(2,11)6-13-7-12-8-3-4-14-5-9(8)13/h7H,3-6,11H2,1-2H3
InChIKeyKXMSJWRKPFVURP-UHFFFAOYSA-N
XLogP0.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine (CID 82400231) is 1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine is CC(C)(N)Cn1cnc2c1COCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine?
The InChIKey is KXMSJWRKPFVURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,11)6-13-7-12-8-3-4-14-5-9(8)13/h7H,3-6,11H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine?
1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine has a molecular weight of 195.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[3,4-d]imidazol-3-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82400231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).