N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine

C11H22N4 — CID 103510884

IUPACN'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCc1cncn1C
InChIInChI=1S/C11H22N4/c1-3-5-12-6-4-7-13-8-11-9-14-10-15(11)2/h9-10,12-13H,3-8H2,1-2H3
InChIKeyQWBFAWOCWVBDEC-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.90
Rot. Bonds8

About N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine

N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine (PubChem CID 103510884) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
PubChem CID103510884
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCc1cncn1C
InChIInChI=1S/C11H22N4/c1-3-5-12-6-4-7-13-8-11-9-14-10-15(11)2/h9-10,12-13H,3-8H2,1-2H3
InChIKeyQWBFAWOCWVBDEC-UHFFFAOYSA-N
XLogP0.90
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
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'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine (CID 103510884) is N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine is CCCNCCCNCc1cncn1C.
What is the InChIKey of N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine?
The InChIKey is QWBFAWOCWVBDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-5-12-6-4-7-13-8-11-9-14-10-15(11)2/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine?
N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 103510884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).