4-[(1-ethylimidazol-2-yl)amino]butan-1-ol

C9H17N3O — CID 106842674

IUPAC4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
SMILESCCn1ccnc1NCCCCO
InChIInChI=1S/C9H17N3O/c1-2-12-7-6-11-9(12)10-5-3-4-8-13/h6-7,13H,2-5,8H2,1H3,(H,10,11)
InChIKeyOEIXGQNXJLRSAP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.09
Rot. Bonds6

About 4-[(1-ethylimidazol-2-yl)amino]butan-1-ol

4-[(1-ethylimidazol-2-yl)amino]butan-1-ol (PubChem CID 106842674) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
PubChem CID106842674
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
SMILESCCn1ccnc1NCCCCO
InChIInChI=1S/C9H17N3O/c1-2-12-7-6-11-9(12)10-5-3-4-8-13/h6-7,13H,2-5,8H2,1H3,(H,10,11)
InChIKeyOEIXGQNXJLRSAP-UHFFFAOYSA-N
XLogP1.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-octylimidazol-2-amine
CID 115568972
N-(1-ethylimidazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 62138038
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide
CID 62137676
3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115360823
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-N-(1-ethylimidazol-2-yl)-4-methoxybutane-1,3-diamine
CID 106244489
N',N'-diethyl-N-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558821
1-[[(1-ethylimidazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 65110887
N-(4-methylpentyl)-1-propylimidazol-2-amine
CID 106572167
N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142947

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)amino]butan-1-ol (CID 106842674) is 4-[(1-ethylimidazol-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)amino]butan-1-ol is CCn1ccnc1NCCCCO.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)amino]butan-1-ol?
The InChIKey is OEIXGQNXJLRSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-12-7-6-11-9(12)10-5-3-4-8-13/h6-7,13H,2-5,8H2,1H3,(H,10,11).
What are the key properties of 4-[(1-ethylimidazol-2-yl)amino]butan-1-ol?
4-[(1-ethylimidazol-2-yl)amino]butan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)amino]butan-1-ol is sourced from PubChem (CID 106842674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).