1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine

C12H21N3O — CID 106582648

IUPAC1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine
SMILESCCCNc1nccn1C(C)C1CCOC1
InChIInChI=1S/C12H21N3O/c1-3-5-13-12-14-6-7-15(12)10(2)11-4-8-16-9-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyVOUMVMZYSBXGIK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds5

About 1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine

1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine (PubChem CID 106582648) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine
PubChem CID106582648
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine
SMILESCCCNc1nccn1C(C)C1CCOC1
InChIInChI=1S/C12H21N3O/c1-3-5-13-12-14-6-7-15(12)10(2)11-4-8-16-9-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyVOUMVMZYSBXGIK-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582627
N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582613
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106571263
N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106572421
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine
CID 106581355
N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106562068
N-ethyl-1-(oxolan-3-yl)imidazol-2-amine
CID 106577306
N-propyl-1-(thian-4-yl)imidazol-2-amine
CID 106582155
N-[1-(oxolan-3-yl)-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747739
1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine
CID 106571277

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine?
The IUPAC name of 1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine (CID 106582648) is 1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine.
What is the SMILES notation for 1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine?
The canonical SMILES for 1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine is CCCNc1nccn1C(C)C1CCOC1.
What is the InChIKey of 1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine?
The InChIKey is VOUMVMZYSBXGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-13-12-14-6-7-15(12)10(2)11-4-8-16-9-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,13,14).
What are the key properties of 1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine?
1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine is sourced from PubChem (CID 106582648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).