2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine

C12H23N3 — CID 114705574

IUPAC2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine
SMILESCCCC(CC)n1cncc1C(C)(C)N
InChIInChI=1S/C12H23N3/c1-5-7-10(6-2)15-9-14-8-11(15)12(3,4)13/h8-10H,5-7,13H2,1-4H3
InChIKeyZNAVCIDXDWEZTH-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.83
Rot. Bonds5

About 2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine

2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine (PubChem CID 114705574) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine
PubChem CID114705574
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine
SMILESCCCC(CC)n1cncc1C(C)(C)N
InChIInChI=1S/C12H23N3/c1-5-7-10(6-2)15-9-14-8-11(15)12(3,4)13/h8-10H,5-7,13H2,1-4H3
InChIKeyZNAVCIDXDWEZTH-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine?
The IUPAC name of 2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine (CID 114705574) is 2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine.
What is the SMILES notation for 2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine?
The canonical SMILES for 2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine is CCCC(CC)n1cncc1C(C)(C)N.
What is the InChIKey of 2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine?
The InChIKey is ZNAVCIDXDWEZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-10(6-2)15-9-14-8-11(15)12(3,4)13/h8-10H,5-7,13H2,1-4H3.
What are the key properties of 2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine?
2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hexan-3-ylimidazol-4-yl)propan-2-amine is sourced from PubChem (CID 114705574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).