2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine

C14H27N3O — CID 116502877

IUPAC2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)(C)C)nc(C(C)COC)c1N
InChIInChI=1S/C14H27N3O/c1-7-8-17-12(15)11(10(2)9-18-6)16-13(17)14(3,4)5/h10H,7-9,15H2,1-6H3
InChIKeyYPEPLFJXPDBPBN-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.92
Rot. Bonds5

About 2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine

2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine (PubChem CID 116502877) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine
PubChem CID116502877
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)(C)C)nc(C(C)COC)c1N
InChIInChI=1S/C14H27N3O/c1-7-8-17-12(15)11(10(2)9-18-6)16-13(17)14(3,4)5/h10H,7-9,15H2,1-6H3
InChIKeyYPEPLFJXPDBPBN-UHFFFAOYSA-N
XLogP2.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine (CID 116502877) is 2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine is CCCn1c(C(C)(C)C)nc(C(C)COC)c1N.
What is the InChIKey of 2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine?
The InChIKey is YPEPLFJXPDBPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-7-8-17-12(15)11(10(2)9-18-6)16-13(17)14(3,4)5/h10H,7-9,15H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine?
2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine has a molecular weight of 253.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1-methoxypropan-2-yl)-3-propylimidazol-4-amine is sourced from PubChem (CID 116502877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).