N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine

C11H19N3O — CID 66152226

IUPACN-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1C1CCCOC1
InChIInChI=1S/C11H19N3O/c1-2-12-6-11-7-13-9-14(11)10-4-3-5-15-8-10/h7,9-10,12H,2-6,8H2,1H3
InChIKeyUMBIZXUJCYYUAA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds4

About N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine

N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66152226) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
PubChem CID66152226
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1C1CCCOC1
InChIInChI=1S/C11H19N3O/c1-2-12-6-11-7-13-9-14(11)10-4-3-5-15-8-10/h7,9-10,12H,2-6,8H2,1H3
InChIKeyUMBIZXUJCYYUAA-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152017
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66152227
2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 80714864
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66162475
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
4-[5-(ethylaminomethyl)imidazol-1-yl]pyrrolidin-2-one
CID 106186435
N-[[1-(oxan-3-yl)indol-7-yl]methyl]ethanamine
CID 107137706
N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147577
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065
N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66149040
N-ethyl-1-(oxan-3-yl)imidazol-2-amine
CID 106573282
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide
CID 106334710

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine (CID 66152226) is N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1C1CCCOC1.
What is the InChIKey of N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is UMBIZXUJCYYUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-12-6-11-7-13-9-14(11)10-4-3-5-15-8-10/h7,9-10,12H,2-6,8H2,1H3.
What are the key properties of N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine?
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66152226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).