1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine

C13H23N3O — CID 103743599

IUPAC1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCCn1ccnc1CNCC1(C)CCOCC1
InChIInChI=1S/C13H23N3O/c1-3-16-7-6-15-12(16)10-14-11-13(2)4-8-17-9-5-13/h6-7,14H,3-5,8-11H2,1-2H3
InChIKeyVBJXRFRLILKYSE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.81
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine

1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 103743599) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID103743599
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCCn1ccnc1CNCC1(C)CCOCC1
InChIInChI=1S/C13H23N3O/c1-3-16-7-6-15-12(16)10-14-11-13(2)4-8-17-9-5-13/h6-7,14H,3-5,8-11H2,1-2H3
InChIKeyVBJXRFRLILKYSE-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 103848413
N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 46784360
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
N-[(4-methyloxan-4-yl)methyl]-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 114125403
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
[1-[(1-ethylimidazol-2-yl)methylamino]cyclobutyl]methanol
CID 115733170
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126176
N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine
CID 106393163
2-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756038

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 103743599) is 1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine is CCn1ccnc1CNCC1(C)CCOCC1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is VBJXRFRLILKYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16-7-6-15-12(16)10-14-11-13(2)4-8-17-9-5-13/h6-7,14H,3-5,8-11H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 103743599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).