3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine

C16H29N3O — CID 62384669

IUPAC3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine
SMILESCCCCn1c(C(C)(C)C)nc(C2CCOCC2)c1N
InChIInChI=1S/C16H29N3O/c1-5-6-9-19-14(17)13(12-7-10-20-11-8-12)18-15(19)16(2,3)4/h12H,5-11,17H2,1-4H3
InChIKeyRNQSUYIWXLYCLS-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.46
Rot. Bonds4

About 3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine

3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine (PubChem CID 62384669) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine
PubChem CID62384669
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine
SMILESCCCCn1c(C(C)(C)C)nc(C2CCOCC2)c1N
InChIInChI=1S/C16H29N3O/c1-5-6-9-19-14(17)13(12-7-10-20-11-8-12)18-15(19)16(2,3)4/h12H,5-11,17H2,1-4H3
InChIKeyRNQSUYIWXLYCLS-UHFFFAOYSA-N
XLogP3.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-cyclopropyl-3-propylimidazol-4-amine
CID 62218648
3-butyl-2-tert-butyl-5-(1-methylpyrazol-4-yl)imidazol-4-amine
CID 62220408
2-cyclopentyl-3-methyl-5-(oxan-4-yl)imidazol-4-amine
CID 62385208
3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine
CID 62384468
3-butyl-2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)imidazol-4-amine
CID 79570429
3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine
CID 63468560
2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine
CID 104575874
5-cyclopentyl-2-cyclopropyl-3-propylimidazol-4-amine
CID 55049023
3-butyl-2-cyclohexyl-5-(2,2-dimethylpropyl)imidazol-4-amine
CID 63467488
2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine
CID 116502877
2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine
CID 63739139
2-cyclohexyl-4-(oxan-4-yl)imidazole-1,5-diamine
CID 62506285

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine (CID 62384669) is 3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine is CCCCn1c(C(C)(C)C)nc(C2CCOCC2)c1N.
What is the InChIKey of 3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine?
The InChIKey is RNQSUYIWXLYCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-6-9-19-14(17)13(12-7-10-20-11-8-12)18-15(19)16(2,3)4/h12H,5-11,17H2,1-4H3.
What are the key properties of 3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine?
3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-tert-butyl-5-(oxan-4-yl)imidazol-4-amine is sourced from PubChem (CID 62384669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).