1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine

C12H21N3 — CID 105461211

IUPAC1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine
SMILESCc1ncc(CCC2(N)CC2)n1C(C)C
InChIInChI=1S/C12H21N3/c1-9(2)15-10(3)14-8-11(15)4-5-12(13)6-7-12/h8-9H,4-7,13H2,1-3H3
InChIKeyHIOLMOLJKILBAW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.20
Rot. Bonds4

About 1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine

1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine (PubChem CID 105461211) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine
PubChem CID105461211
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine
SMILESCc1ncc(CCC2(N)CC2)n1C(C)C
InChIInChI=1S/C12H21N3/c1-9(2)15-10(3)14-8-11(15)4-5-12(13)6-7-12/h8-9H,4-7,13H2,1-3H3
InChIKeyHIOLMOLJKILBAW-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine (CID 105461211) is 1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine is Cc1ncc(CCC2(N)CC2)n1C(C)C.
What is the InChIKey of 1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine?
The InChIKey is HIOLMOLJKILBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)15-10(3)14-8-11(15)4-5-12(13)6-7-12/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine?
1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-3-propan-2-ylimidazol-4-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105461211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).