4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine

C11H19N3O — CID 79743997

IUPAC4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
SMILESCCn1ccnc1CC1(N)CCOCC1
InChIInChI=1S/C11H19N3O/c1-2-14-6-5-13-10(14)9-11(12)3-7-15-8-4-11/h5-6H,2-4,7-9,12H2,1H3
InChIKeyUDKAHJDAQQMNKC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.95
Rot. Bonds3

About 4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine

4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine (PubChem CID 79743997) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
PubChem CID79743997
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
SMILESCCn1ccnc1CC1(N)CCOCC1
InChIInChI=1S/C11H19N3O/c1-2-14-6-5-13-10(14)9-11(12)3-7-15-8-4-11/h5-6H,2-4,7-9,12H2,1H3
InChIKeyUDKAHJDAQQMNKC-UHFFFAOYSA-N
XLogP0.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 79744347
1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 79744545
1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743599
1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79744452
1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
2-ethyl-1-[(1-ethylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744542
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine
CID 79761126
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
CID 79744305
2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
CID 79744060
3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 103848413
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
CID 79744249

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine (CID 79743997) is 4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine is CCn1ccnc1CC1(N)CCOCC1.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine?
The InChIKey is UDKAHJDAQQMNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-14-6-5-13-10(14)9-11(12)3-7-15-8-4-11/h5-6H,2-4,7-9,12H2,1H3.
What are the key properties of 4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine?
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine has a molecular weight of 209.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 79743997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).