2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine

C11H20N4O — CID 66117100

IUPAC2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
SMILESCn1cncc1C(CN)N1CCCOCC1
InChIInChI=1S/C11H20N4O/c1-14-9-13-8-11(14)10(7-12)15-3-2-5-16-6-4-15/h8-10H,2-7,12H2,1H3
InChIKeyZRKHOCVCMFKYKX-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.14
Rot. Bonds3

About 2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine

2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine (PubChem CID 66117100) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
PubChem CID66117100
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
SMILESCn1cncc1C(CN)N1CCCOCC1
InChIInChI=1S/C11H20N4O/c1-14-9-13-8-11(14)10(7-12)15-3-2-5-16-6-4-15/h8-10H,2-7,12H2,1H3
InChIKeyZRKHOCVCMFKYKX-UHFFFAOYSA-N
XLogP0.14
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 83089014
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(3-methylimidazol-4-yl)ethanamine
CID 107453958
2-(5-chloro-3-methylimidazol-4-yl)-2-morpholin-4-ylethanamine
CID 84741697
2-(1,5-dimethylimidazol-4-yl)-2-morpholin-4-ylethanamine
CID 84740438
3-(azepan-1-yl)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117993
2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62988305
2-(5-bromo-1-methylimidazol-4-yl)-2-morpholin-4-ylethanamine
CID 84743731
2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
CID 66119616
ethyl 3-(azepan-1-yl)-3-(3-methylimidazol-4-yl)propanoate
CID 66118425
2-(2,3-dimethylpiperidin-1-yl)-2-(3-methylimidazol-4-yl)ethanamine
CID 66119615
2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethanamine
CID 118297300
2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131413

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine (CID 66117100) is 2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine is Cn1cncc1C(CN)N1CCCOCC1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine?
The InChIKey is ZRKHOCVCMFKYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14-9-13-8-11(14)10(7-12)15-3-2-5-16-6-4-15/h8-10H,2-7,12H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine?
2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine is sourced from PubChem (CID 66117100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).