1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine

C12H21N3O — CID 106562060

IUPAC1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1C(C)C1CCCO1
InChIInChI=1S/C12H21N3O/c1-9(2)14-12-13-6-7-15(12)10(3)11-5-4-8-16-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyJHQZLIUKZSQWEQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.44
Rot. Bonds4

About 1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine

1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine (PubChem CID 106562060) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine
PubChem CID106562060
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1C(C)C1CCCO1
InChIInChI=1S/C12H21N3O/c1-9(2)14-12-13-6-7-15(12)10(3)11-5-4-8-16-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyJHQZLIUKZSQWEQ-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine (CID 106562060) is 1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1C(C)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine?
The InChIKey is JHQZLIUKZSQWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)14-12-13-6-7-15(12)10(3)11-5-4-8-16-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of 1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine?
1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106562060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).