1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide

C13H22N4O2 — CID 107498649

IUPAC1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H22N4O2/c1-16(8-11-2-6-19-7-3-11)13(18)12-9-17(5-4-14)10-15-12/h9-11H,2-8,14H2,1H3
InChIKeyJVXFCANMIAUKOZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.34
Rot. Bonds5

About 1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide (PubChem CID 107498649) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide
PubChem CID107498649
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H22N4O2/c1-16(8-11-2-6-19-7-3-11)13(18)12-9-17(5-4-14)10-15-12/h9-11H,2-8,14H2,1H3
InChIKeyJVXFCANMIAUKOZ-UHFFFAOYSA-N
XLogP0.34
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)imidazole-4-carboxamide
CID 107497323
1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide
CID 107497382
5-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63724401
1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
CID 107499326
methyl 3-[[1-(2-aminoethyl)imidazole-4-carbonyl]-methylamino]-2-methylpropanoate
CID 107497281
1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide
CID 107496920
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
CID 107501388
[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone
CID 107501563
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 113323608
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 55226827
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63707773

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide (CID 107498649) is 1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide is CN(CC1CCOCC1)C(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide?
The InChIKey is JVXFCANMIAUKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(8-11-2-6-19-7-3-11)13(18)12-9-17(5-4-14)10-15-12/h9-11H,2-8,14H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 107498649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).