N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine

C12H24N4 — CID 106553235

IUPACN,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
SMILESCNCCCN(C)c1nccn1CC(C)C
InChIInChI=1S/C12H24N4/c1-11(2)10-16-9-7-14-12(16)15(4)8-5-6-13-3/h7,9,11,13H,5-6,8,10H2,1-4H3
InChIKeyZZDYYFBUTVCBLS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.58
Rot. Bonds7

About N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine

N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine (PubChem CID 106553235) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
PubChem CID106553235
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
SMILESCNCCCN(C)c1nccn1CC(C)C
InChIInChI=1S/C12H24N4/c1-11(2)10-16-9-7-14-12(16)15(4)8-5-6-13-3/h7,9,11,13H,5-6,8,10H2,1-4H3
InChIKeyZZDYYFBUTVCBLS-UHFFFAOYSA-N
XLogP1.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine (CID 106553235) is N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine is CNCCCN(C)c1nccn1CC(C)C.
What is the InChIKey of N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine?
The InChIKey is ZZDYYFBUTVCBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-11(2)10-16-9-7-14-12(16)15(4)8-5-6-13-3/h7,9,11,13H,5-6,8,10H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine?
N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine is sourced from PubChem (CID 106553235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).