1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine

C9H20N4 — CID 15678409

IUPAC1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine
SMILESCC(N)CN1C=CN(CC(C)N)C1
InChIInChI=1S/C9H20N4/c1-8(10)5-12-3-4-13(7-12)6-9(2)11/h3-4,8-9H,5-7,10-11H2,1-2H3
InChIKeyASKXZOHJXFZXIY-UHFFFAOYSA-N
MW184.29 g/mol
LogP-0.27
Rot. Bonds4

About 1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine

1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine (PubChem CID 15678409) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine
PubChem CID15678409
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine
SMILESCC(N)CN1C=CN(CC(C)N)C1
InChIInChI=1S/C9H20N4/c1-8(10)5-12-3-4-13(7-12)6-9(2)11/h3-4,8-9H,5-7,10-11H2,1-2H3
InChIKeyASKXZOHJXFZXIY-UHFFFAOYSA-N
XLogP-0.27
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine?
The IUPAC name of 1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine (CID 15678409) is 1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine?
The canonical SMILES for 1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine is CC(N)CN1C=CN(CC(C)N)C1.
What is the InChIKey of 1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine?
The InChIKey is ASKXZOHJXFZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-8(10)5-12-3-4-13(7-12)6-9(2)11/h3-4,8-9H,5-7,10-11H2,1-2H3.
What are the key properties of 1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine?
1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine has a molecular weight of 184.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminopropyl)-2H-imidazol-1-yl]propan-2-amine is sourced from PubChem (CID 15678409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).