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

C10H20N4 — CID 103510883

IUPACN-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
SMILESCCNCCCNCc1cncn1C
InChIInChI=1S/C10H20N4/c1-3-11-5-4-6-12-7-10-8-13-9-14(10)2/h8-9,11-12H,3-7H2,1-2H3
InChIKeyRKXURCFMYAYCCD-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.51
Rot. Bonds7

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

N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 103510883) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
PubChem CID103510883
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
SMILESCCNCCCNCc1cncn1C
InChIInChI=1S/C10H20N4/c1-3-11-5-4-6-12-7-10-8-13-9-14(10)2/h8-9,11-12H,3-7H2,1-2H3
InChIKeyRKXURCFMYAYCCD-UHFFFAOYSA-N
XLogP0.51
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.51
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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Related Compounds

N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
CID 103510884
3-butoxy-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 115606778
N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 63000421
3,3,3-trifluoro-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 66116451
2-ethylsulfinyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 115632286
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683
N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 63001825
(E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine
CID 115628974
2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 66118770
3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 119109875
N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 63031421
N-[(3-methylimidazol-4-yl)methyl]-2-phenylethanamine
CID 53397214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine (CID 103510883) is N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine is CCNCCCNCc1cncn1C.
What is the InChIKey of N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is RKXURCFMYAYCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-11-5-4-6-12-7-10-8-13-9-14(10)2/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine?
N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 103510883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).