2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine

C10H17N3 — CID 114707859

IUPAC2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine
SMILESC=C(C)Cn1cncc1C(C)(C)N
InChIInChI=1S/C10H17N3/c1-8(2)6-13-7-12-5-9(13)10(3,4)11/h5,7H,1,6,11H2,2-4H3
InChIKeyMZDARXTZFBNBSH-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.65
Rot. Bonds3

About 2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine

2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine (PubChem CID 114707859) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine
PubChem CID114707859
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine
SMILESC=C(C)Cn1cncc1C(C)(C)N
InChIInChI=1S/C10H17N3/c1-8(2)6-13-7-12-5-9(13)10(3,4)11/h5,7H,1,6,11H2,2-4H3
InChIKeyMZDARXTZFBNBSH-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine (CID 114707859) is 2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine is C=C(C)Cn1cncc1C(C)(C)N.
What is the InChIKey of 2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine?
The InChIKey is MZDARXTZFBNBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)6-13-7-12-5-9(13)10(3,4)11/h5,7H,1,6,11H2,2-4H3.
What are the key properties of 2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine?
2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114707859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).