1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine

C12H24N4 — CID 106555597

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine
SMILESCc1cn(CCN(C(C)C)C(C)C)c(N)n1
InChIInChI=1S/C12H24N4/c1-9(2)16(10(3)4)7-6-15-8-11(5)14-12(15)13/h8-10H,6-7H2,1-5H3,(H2,13,14)
InChIKeyATTQXVSHSCDYPB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.89
Rot. Bonds5

About 1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine

1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine (PubChem CID 106555597) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine
PubChem CID106555597
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine
SMILESCc1cn(CCN(C(C)C)C(C)C)c(N)n1
InChIInChI=1S/C12H24N4/c1-9(2)16(10(3)4)7-6-15-8-11(5)14-12(15)13/h8-10H,6-7H2,1-5H3,(H2,13,14)
InChIKeyATTQXVSHSCDYPB-UHFFFAOYSA-N
XLogP1.89
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine (CID 106555597) is 1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine is Cc1cn(CCN(C(C)C)C(C)C)c(N)n1.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine?
The InChIKey is ATTQXVSHSCDYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-9(2)16(10(3)4)7-6-15-8-11(5)14-12(15)13/h8-10H,6-7H2,1-5H3,(H2,13,14).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine?
1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine has a molecular weight of 224.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106555597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).