N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine

C12H21N3O — CID 116732169

IUPACN-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C(OCC)C2CC2)[nH]1
InChIInChI=1S/C12H21N3O/c1-3-13-7-10-8-14-12(15-10)11(16-4-2)9-5-6-9/h8-9,11,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyPKOSEIOQAZSUKU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.01
Rot. Bonds7

About N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine

N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 116732169) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID116732169
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C(OCC)C2CC2)[nH]1
InChIInChI=1S/C12H21N3O/c1-3-13-7-10-8-14-12(15-10)11(16-4-2)9-5-6-9/h8-9,11,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyPKOSEIOQAZSUKU-UHFFFAOYSA-N
XLogP2.01
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine (CID 116732169) is N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine is CCNCc1cnc(C(OCC)C2CC2)[nH]1.
What is the InChIKey of N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is PKOSEIOQAZSUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-13-7-10-8-14-12(15-10)11(16-4-2)9-5-6-9/h8-9,11,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine?
N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 116732169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).