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

C13H23N3O — CID 116883007

IUPAC3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine
SMILESCC(C)C(CN)c1ncc(C2CCOCC2)[nH]1
InChIInChI=1S/C13H23N3O/c1-9(2)11(7-14)13-15-8-12(16-13)10-3-5-17-6-4-10/h8-11H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyPNUWCKLBWWNCEJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.00
Rot. Bonds4

About 3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine

3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine (PubChem CID 116883007) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine
PubChem CID116883007
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine
SMILESCC(C)C(CN)c1ncc(C2CCOCC2)[nH]1
InChIInChI=1S/C13H23N3O/c1-9(2)11(7-14)13-15-8-12(16-13)10-3-5-17-6-4-10/h8-11H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyPNUWCKLBWWNCEJ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-5-(oxan-4-yl)-1H-imidazole
CID 116878137
2-methyl-4-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877282
3-methyl-3-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine
CID 116877174
[1-[5-(oxan-4-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882148
3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880224
(5-cyclopropyl-1H-imidazol-2-yl)methanamine
CID 84648312
2-[2-(oxolan-3-yl)-1,3-oxazol-5-yl]propan-1-amine
CID 115084963
2-(5-cyclohexyl-1H-imidazol-2-yl)-3-methylbutanenitrile
CID 116883261
3-methyl-2-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-1-amine
CID 65231005
1-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
CID 105460761
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 65230623
2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 65230342

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine (CID 116883007) is 3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine is CC(C)C(CN)c1ncc(C2CCOCC2)[nH]1.
What is the InChIKey of 3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is PNUWCKLBWWNCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)11(7-14)13-15-8-12(16-13)10-3-5-17-6-4-10/h8-11H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine?
3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[5-(oxan-4-yl)-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 116883007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).