3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine

C17H29N5 — CID 140833519

IUPAC3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine
SMILESCCn1ccnc1CCCN(C)CCCc1nccn1CC
InChIInChI=1S/C17H29N5/c1-4-21-14-10-18-16(21)8-6-12-20(3)13-7-9-17-19-11-15-22(17)5-2/h10-11,14-15H,4-9,12-13H2,1-3H3
InChIKeyHLXIUIUHBPSEMJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.62
Rot. Bonds10

About 3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine

3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine (PubChem CID 140833519) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine
PubChem CID140833519
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine
SMILESCCn1ccnc1CCCN(C)CCCc1nccn1CC
InChIInChI=1S/C17H29N5/c1-4-21-14-10-18-16(21)8-6-12-20(3)13-7-9-17-19-11-15-22(17)5-2/h10-11,14-15H,4-9,12-13H2,1-3H3
InChIKeyHLXIUIUHBPSEMJ-UHFFFAOYSA-N
XLogP2.62
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine (CID 140833519) is 3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine is CCn1ccnc1CCCN(C)CCCc1nccn1CC.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine?
The InChIKey is HLXIUIUHBPSEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-4-21-14-10-18-16(21)8-6-12-20(3)13-7-9-17-19-11-15-22(17)5-2/h10-11,14-15H,4-9,12-13H2,1-3H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine?
3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 2.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine is sourced from PubChem (CID 140833519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).