N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine

C13H21N5O — CID 106568485

IUPACN-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
SMILESCOCCCNc1nccn1CCc1nccn1C
InChIInChI=1S/C13H21N5O/c1-17-9-6-14-12(17)4-8-18-10-7-16-13(18)15-5-3-11-19-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,15,16)
InChIKeyXHFRSRAGBCLZTJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.31
Rot. Bonds8

About N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine

N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine (PubChem CID 106568485) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
PubChem CID106568485
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
SMILESCOCCCNc1nccn1CCc1nccn1C
InChIInChI=1S/C13H21N5O/c1-17-9-6-14-12(17)4-8-18-10-7-16-13(18)15-5-3-11-19-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,15,16)
InChIKeyXHFRSRAGBCLZTJ-UHFFFAOYSA-N
XLogP1.31
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106555590
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-[2-(3-fluorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106562539
3-(3-methoxypropylamino)-1-methylpyrazin-2-one
CID 62939042
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558814
N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567498

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine (CID 106568485) is N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine is COCCCNc1nccn1CCc1nccn1C.
What is the InChIKey of N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine?
The InChIKey is XHFRSRAGBCLZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-9-6-14-12(17)4-8-18-10-7-16-13(18)15-5-3-11-19-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,15,16).
What are the key properties of N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine?
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106568485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).