1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine

C15H21N7 — CID 122628222

IUPAC1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine
SMILESCn1cnc(CC(c2cn(C)cn2)C(N)c2cn(C)cn2)c1
InChIInChI=1S/C15H21N7/c1-20-5-11(17-8-20)4-12(13-6-21(2)9-18-13)15(16)14-7-22(3)10-19-14/h5-10,12,15H,4,16H2,1-3H3
InChIKeyMJIPKWRZLHPNEU-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.91
Rot. Bonds5

About 1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine

1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine (PubChem CID 122628222) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine
PubChem CID122628222
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine
SMILESCn1cnc(CC(c2cn(C)cn2)C(N)c2cn(C)cn2)c1
InChIInChI=1S/C15H21N7/c1-20-5-11(17-8-20)4-12(13-6-21(2)9-18-13)15(16)14-7-22(3)10-19-14/h5-10,12,15H,4,16H2,1-3H3
InChIKeyMJIPKWRZLHPNEU-UHFFFAOYSA-N
XLogP0.91
TPSA79.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine?
The IUPAC name of 1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine (CID 122628222) is 1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine?
The canonical SMILES for 1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine is Cn1cnc(CC(c2cn(C)cn2)C(N)c2cn(C)cn2)c1.
What is the InChIKey of 1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine?
The InChIKey is MJIPKWRZLHPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-20-5-11(17-8-20)4-12(13-6-21(2)9-18-13)15(16)14-7-22(3)10-19-14/h5-10,12,15H,4,16H2,1-3H3.
What are the key properties of 1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine?
1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(1-methylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 122628222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).