3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine

C12H23N3O — CID 106938283

IUPAC3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine
SMILESCCn1ccnc1COCC(N)(CC)CC
InChIInChI=1S/C12H23N3O/c1-4-12(13,5-2)10-16-9-11-14-7-8-15(11)6-3/h7-8H,4-6,9-10,13H2,1-3H3
InChIKeyZQGDRSPVZHFPEN-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.94
Rot. Bonds7

About 3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine

3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine (PubChem CID 106938283) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine
PubChem CID106938283
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine
SMILESCCn1ccnc1COCC(N)(CC)CC
InChIInChI=1S/C12H23N3O/c1-4-12(13,5-2)10-16-9-11-14-7-8-15(11)6-3/h7-8H,4-6,9-10,13H2,1-3H3
InChIKeyZQGDRSPVZHFPEN-UHFFFAOYSA-N
XLogP1.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine
CID 106937929
[2-[(1-ethylimidazol-2-yl)methoxymethyl]cyclopentyl]methanamine
CID 106938478
4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 78990443
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-ethyl-2-(2-methoxyethyl)imidazole
CID 175783525
2-[(1-ethylimidazol-2-yl)methoxy]but-3-ene-2-sulfonic acid
CID 175435591
1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 116590833
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-one
CID 62406936
1-(2-azidoethyl)-2-(ethoxymethyl)imidazole
CID 90813070
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 82912915

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine (CID 106938283) is 3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine is CCn1ccnc1COCC(N)(CC)CC.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine?
The InChIKey is ZQGDRSPVZHFPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-12(13,5-2)10-16-9-11-14-7-8-15(11)6-3/h7-8H,4-6,9-10,13H2,1-3H3.
What are the key properties of 3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine?
3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine has a molecular weight of 225.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine is sourced from PubChem (CID 106938283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).