3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid

C14H27N3O3 — CID 70498652

IUPAC3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid
SMILESCCCCCN(C)CC(=O)O.OC=CCN1C=NCC1
InChIInChI=1S/C8H17NO2.C6H10N2O/c1-3-4-5-6-9(2)7-8(10)11;9-5-1-3-8-4-2-7-6-8/h3-7H2,1-2H3,(H,10,11);1,5-6,9H,2-4H2
InChIKeyMJEVWIYEFWEYNG-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.60
Rot. Bonds8

About 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid

3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid (PubChem CID 70498652) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid
PubChem CID70498652
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid
SMILESCCCCCN(C)CC(=O)O.OC=CCN1C=NCC1
InChIInChI=1S/C8H17NO2.C6H10N2O/c1-3-4-5-6-9(2)7-8(10)11;9-5-1-3-8-4-2-7-6-8/h3-7H2,1-2H3,(H,10,11);1,5-6,9H,2-4H2
InChIKeyMJEVWIYEFWEYNG-UHFFFAOYSA-N
XLogP1.60
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[hexyl(methyl)amino]acetic acid
CID 10197909
CID 175691968
CID 175691968
CID 87747954
CID 87747954
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid
CID 173150786
1-heptyl-4,5-dihydroimidazole
CID 19733963
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
2-[methyl(propyl)amino]acetic acid;pentan-1-amine
CID 175371891
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid (CID 70498652) is 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid is CCCCCN(C)CC(=O)O.OC=CCN1C=NCC1.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid?
The InChIKey is MJEVWIYEFWEYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C6H10N2O/c1-3-4-5-6-9(2)7-8(10)11;9-5-1-3-8-4-2-7-6-8/h3-7H2,1-2H3,(H,10,11);1,5-6,9H,2-4H2.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid?
3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-ol;2-[methyl(pentyl)amino]acetic acid is sourced from PubChem (CID 70498652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).