6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol

C14H27N3O — CID 107706775

IUPAC6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol
SMILESCCCNCCc1cn(CCCCCCO)cn1
InChIInChI=1S/C14H27N3O/c1-2-8-15-9-7-14-12-17(13-16-14)10-5-3-4-6-11-18/h12-13,15,18H,2-11H2,1H3
InChIKeyMMWKWOIVTMBKFL-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.98
Rot. Bonds11

About 6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol

6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol (PubChem CID 107706775) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol
PubChem CID107706775
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol
SMILESCCCNCCc1cn(CCCCCCO)cn1
InChIInChI=1S/C14H27N3O/c1-2-8-15-9-7-14-12-17(13-16-14)10-5-3-4-6-11-18/h12-13,15,18H,2-11H2,1H3
InChIKeyMMWKWOIVTMBKFL-UHFFFAOYSA-N
XLogP1.98
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.98
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

4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
CID 79985168
N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine
CID 104649119
5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
CID 106717483
2-(4-hexadecylimidazol-1-yl)ethanol
CID 175193401
5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide
CID 114281742
N-[2-[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985115
(1-pentylimidazol-4-yl)methanol
CID 11147952
N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
CID 79985350
N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985929
N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide
CID 79984949
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
CID 106717943
N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719077

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol?
The IUPAC name of 6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol (CID 107706775) is 6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol?
The canonical SMILES for 6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol is CCCNCCc1cn(CCCCCCO)cn1.
What is the InChIKey of 6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol?
The InChIKey is MMWKWOIVTMBKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-8-15-9-7-14-12-17(13-16-14)10-5-3-4-6-11-18/h12-13,15,18H,2-11H2,1H3.
What are the key properties of 6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol?
6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 1.98, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol is sourced from PubChem (CID 107706775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).