[3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine

C10H17N3O — CID 66148189

IUPAC[3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
SMILESCC(C1CCCO1)n1cncc1CN
InChIInChI=1S/C10H17N3O/c1-8(10-3-2-4-14-10)13-7-12-6-9(13)5-11/h6-8,10H,2-5,11H2,1H3
InChIKeyFVXXLQIJAJLJOV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.08
Rot. Bonds3

About [3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine

[3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine (PubChem CID 66148189) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
PubChem CID66148189
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
SMILESCC(C1CCCO1)n1cncc1CN
InChIInChI=1S/C10H17N3O/c1-8(10-3-2-4-14-10)13-7-12-6-9(13)5-11/h6-8,10H,2-5,11H2,1H3
InChIKeyFVXXLQIJAJLJOV-UHFFFAOYSA-N
XLogP1.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of [3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine (CID 66148189) is [3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for [3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine is CC(C1CCCO1)n1cncc1CN.
What is the InChIKey of [3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is FVXXLQIJAJLJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(10-3-2-4-14-10)13-7-12-6-9(13)5-11/h6-8,10H,2-5,11H2,1H3.
What are the key properties of [3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine?
[3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 66148189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).