1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine

C12H24N4 — CID 106567736

IUPAC1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1C(C)CCN(C)C
InChIInChI=1S/C12H24N4/c1-6-13-12-14-10(2)9-16(12)11(3)7-8-15(4)5/h9,11H,6-8H2,1-5H3,(H,13,14)
InChIKeyIGFHXMDNNPFORY-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.14
Rot. Bonds6

About 1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine

1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine (PubChem CID 106567736) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine
PubChem CID106567736
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1C(C)CCN(C)C
InChIInChI=1S/C12H24N4/c1-6-13-12-14-10(2)9-16(12)11(3)7-8-15(4)5/h9,11H,6-8H2,1-5H3,(H,13,14)
InChIKeyIGFHXMDNNPFORY-UHFFFAOYSA-N
XLogP2.14
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine?
The IUPAC name of 1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine (CID 106567736) is 1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine is CCNc1nc(C)cn1C(C)CCN(C)C.
What is the InChIKey of 1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine?
The InChIKey is IGFHXMDNNPFORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-6-13-12-14-10(2)9-16(12)11(3)7-8-15(4)5/h9,11H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine?
1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106567736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).