N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine

C11H19N3O — CID 63001804

IUPACN-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCn1cncc1CNCC1CCCOC1
InChIInChI=1S/C11H19N3O/c1-14-9-13-7-11(14)6-12-5-10-3-2-4-15-8-10/h7,9-10,12H,2-6,8H2,1H3
InChIKeyCGHYOONFWYXGFN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.94
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine

N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 63001804) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID63001804
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCn1cncc1CNCC1CCCOC1
InChIInChI=1S/C11H19N3O/c1-14-9-13-7-11(14)6-12-5-10-3-2-4-15-8-10/h7,9-10,12H,2-6,8H2,1H3
InChIKeyCGHYOONFWYXGFN-UHFFFAOYSA-N
XLogP0.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.94
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]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine (CID 63001804) is N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine is Cn1cncc1CNCC1CCCOC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is CGHYOONFWYXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-9-13-7-11(14)6-12-5-10-3-2-4-15-8-10/h7,9-10,12H,2-6,8H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
N-[(3-methylimidazol-4-yl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 0.94, 4 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]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 63001804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).