1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine

C16H31N3 — CID 138581154

IUPAC1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine
SMILESCCC(C)n1c(C)c(C)n(C(C)CC)c1=NC(C)C
InChIInChI=1S/C16H31N3/c1-9-12(5)18-14(7)15(8)19(13(6)10-2)16(18)17-11(3)4/h11-13H,9-10H2,1-8H3
InChIKeyARAQPYCECYNUGT-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.16
Rot. Bonds5

About 1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine

1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine (PubChem CID 138581154) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine.

Molecular Properties

Compound Name1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine
PubChem CID138581154
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine
SMILESCCC(C)n1c(C)c(C)n(C(C)CC)c1=NC(C)C
InChIInChI=1S/C16H31N3/c1-9-12(5)18-14(7)15(8)19(13(6)10-2)16(18)17-11(3)4/h11-13H,9-10H2,1-8H3
InChIKeyARAQPYCECYNUGT-UHFFFAOYSA-N
XLogP4.16
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine?
The IUPAC name of 1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine (CID 138581154) is 1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine.
What is the SMILES notation for 1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine?
The canonical SMILES for 1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine is CCC(C)n1c(C)c(C)n(C(C)CC)c1=NC(C)C.
What is the InChIKey of 1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine?
The InChIKey is ARAQPYCECYNUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-9-12(5)18-14(7)15(8)19(13(6)10-2)16(18)17-11(3)4/h11-13H,9-10H2,1-8H3.
What are the key properties of 1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine?
1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine has a molecular weight of 265.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine is sourced from PubChem (CID 138581154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).