2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine

C13H23N3O — CID 116877282

IUPAC2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine
SMILESCC(C)(N)CCc1ncc(C2CCOCC2)[nH]1
InChIInChI=1S/C13H23N3O/c1-13(2,14)6-3-12-15-9-11(16-12)10-4-7-17-8-5-10/h9-10H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyUQFBCRZVAYMONA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.97
Rot. Bonds4

About 2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine

2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine (PubChem CID 116877282) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine
PubChem CID116877282
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine
SMILESCC(C)(N)CCc1ncc(C2CCOCC2)[nH]1
InChIInChI=1S/C13H23N3O/c1-13(2,14)6-3-12-15-9-11(16-12)10-4-7-17-8-5-10/h9-10H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyUQFBCRZVAYMONA-UHFFFAOYSA-N
XLogP1.97
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-5-(oxan-4-yl)-1H-imidazole
CID 116878137
3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880224
3-methyl-3-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine
CID 116877174
1-(5-cyclopentyl-1H-imidazol-2-yl)-2-methylpropan-2-amine
CID 116876890
3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine
CID 116883007
(5-cyclopropyl-1H-imidazol-2-yl)methanamine
CID 84648312
[1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882148
(5-cyclopropyl-1H-imidazol-2-yl)methanol
CID 105427977
2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol
CID 116879366
3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876953
4-(5-cyclobutyl-1H-imidazol-2-yl)butan-2-one
CID 116880941
2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 115041060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine?
The IUPAC name of 2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine (CID 116877282) is 2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine?
The canonical SMILES for 2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine is CC(C)(N)CCc1ncc(C2CCOCC2)[nH]1.
What is the InChIKey of 2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine?
The InChIKey is UQFBCRZVAYMONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,14)6-3-12-15-9-11(16-12)10-4-7-17-8-5-10/h9-10H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine?
2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine is sourced from PubChem (CID 116877282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).