N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine

C14H20N4 — CID 80507516

IUPACN'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine
SMILESCCn1ccnc1NCCC(N)c1ccccc1
InChIInChI=1S/C14H20N4/c1-2-18-11-10-17-14(18)16-9-8-13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9,15H2,1H3,(H,16,17)
InChIKeyUDQNTKXVOADTDM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.40
Rot. Bonds6

About N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine

N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine (PubChem CID 80507516) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine
PubChem CID80507516
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine
SMILESCCn1ccnc1NCCC(N)c1ccccc1
InChIInChI=1S/C14H20N4/c1-2-18-11-10-17-14(18)16-9-8-13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9,15H2,1H3,(H,16,17)
InChIKeyUDQNTKXVOADTDM-UHFFFAOYSA-N
XLogP2.40
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine
CID 55256491
1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine
CID 106244489
1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 80506681
N-ethyl-1-(3-phenylbutyl)imidazol-2-amine
CID 106572158
2-[(3-amino-3-phenylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061358
1-(1-(213C)ethylimidazol-2-yl)-2-phenylhydrazine
CID 102512179
1-ethyl-N-octylimidazol-2-amine
CID 115568972
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401
4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
CID 106842674
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958
N-(1-ethylimidazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 62138038
3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide
CID 62137676

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine (CID 80507516) is N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine is CCn1ccnc1NCCC(N)c1ccccc1.
What is the InChIKey of N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine?
The InChIKey is UDQNTKXVOADTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-18-11-10-17-14(18)16-9-8-13(15)12-6-4-3-5-7-12/h3-7,10-11,13H,2,8-9,15H2,1H3,(H,16,17).
What are the key properties of N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine?
N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 80507516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).