1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine

C13H28N4 — CID 79497046

IUPAC1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine
SMILESCC(C)CCC1(C)CN=C(N)N1CCN(C)C
InChIInChI=1S/C13H28N4/c1-11(2)6-7-13(3)10-15-12(14)17(13)9-8-16(4)5/h11H,6-10H2,1-5H3,(H2,14,15)
InChIKeyKLWZDCRMQJPULA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.37
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine

1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine (PubChem CID 79497046) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine
PubChem CID79497046
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine
SMILESCC(C)CCC1(C)CN=C(N)N1CCN(C)C
InChIInChI=1S/C13H28N4/c1-11(2)6-7-13(3)10-15-12(14)17(13)9-8-16(4)5/h11H,6-10H2,1-5H3,(H2,14,15)
InChIKeyKLWZDCRMQJPULA-UHFFFAOYSA-N
XLogP1.37
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine (CID 79497046) is 1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine is CC(C)CCC1(C)CN=C(N)N1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine?
The InChIKey is KLWZDCRMQJPULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-11(2)6-7-13(3)10-15-12(14)17(13)9-8-16(4)5/h11H,6-10H2,1-5H3,(H2,14,15).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine?
1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine has a molecular weight of 240.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79497046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).