N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine

C10H17N3O — CID 63001272

IUPACN-[(3-methylimidazol-4-yl)methyl]oxan-4-amine
SMILESCn1cncc1CNC1CCOCC1
InChIInChI=1S/C10H17N3O/c1-13-8-11-6-10(13)7-12-9-2-4-14-5-3-9/h6,8-9,12H,2-5,7H2,1H3
InChIKeyXLZKUCMULQYBCU-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.69
Rot. Bonds3

About N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine

N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine (PubChem CID 63001272) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]oxan-4-amine
PubChem CID63001272
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]oxan-4-amine
SMILESCn1cncc1CNC1CCOCC1
InChIInChI=1S/C10H17N3O/c1-13-8-11-6-10(13)7-12-9-2-4-14-5-3-9/h6,8-9,12H,2-5,7H2,1H3
InChIKeyXLZKUCMULQYBCU-UHFFFAOYSA-N
XLogP0.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine (CID 63001272) is N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine is Cn1cncc1CNC1CCOCC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine?
The InChIKey is XLZKUCMULQYBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-8-11-6-10(13)7-12-9-2-4-14-5-3-9/h6,8-9,12H,2-5,7H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine?
N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 63001272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).