2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine

C10H17N3O — CID 106931049

IUPAC2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(COCC2CC2)cn1
InChIInChI=1S/C10H17N3O/c11-4-3-10-5-13(7-12-10)8-14-6-9-1-2-9/h5,7,9H,1-4,6,8,11H2
InChIKeyNYWRRQNTARNZLC-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.77
Rot. Bonds6

About 2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine

2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine (PubChem CID 106931049) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine
PubChem CID106931049
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(COCC2CC2)cn1
InChIInChI=1S/C10H17N3O/c11-4-3-10-5-13(7-12-10)8-14-6-9-1-2-9/h5,7,9H,1-4,6,8,11H2
InChIKeyNYWRRQNTARNZLC-UHFFFAOYSA-N
XLogP0.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine (CID 106931049) is 2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine is NCCc1cn(COCC2CC2)cn1.
What is the InChIKey of 2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine?
The InChIKey is NYWRRQNTARNZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-4-3-10-5-13(7-12-10)8-14-6-9-1-2-9/h5,7,9H,1-4,6,8,11H2.
What are the key properties of 2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine?
2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethoxymethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 106931049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).