1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine

C14H27N3O2 — CID 106581195

IUPAC1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
SMILESCCCCn1ccnc1NCCCCOCCOC
InChIInChI=1S/C14H27N3O2/c1-3-4-9-17-10-8-16-14(17)15-7-5-6-11-19-13-12-18-2/h8,10H,3-7,9,11-13H2,1-2H3,(H,15,16)
InChIKeyNWHASLILCOJYMJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.54
Rot. Bonds12

About 1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine

1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine (PubChem CID 106581195) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
PubChem CID106581195
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
SMILESCCCCn1ccnc1NCCCCOCCOC
InChIInChI=1S/C14H27N3O2/c1-3-4-9-17-10-8-16-14(17)15-7-5-6-11-19-13-12-18-2/h8,10H,3-7,9,11-13H2,1-2H3,(H,15,16)
InChIKeyNWHASLILCOJYMJ-UHFFFAOYSA-N
XLogP2.54
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
N-butyl-1-hexylimidazol-2-amine
CID 106573794
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
N-ethyl-1-[2-(2-methoxyethoxy)ethyl]imidazol-2-amine
CID 106564453
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine?
The IUPAC name of 1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine (CID 106581195) is 1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine?
The canonical SMILES for 1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine is CCCCn1ccnc1NCCCCOCCOC.
What is the InChIKey of 1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine?
The InChIKey is NWHASLILCOJYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-4-9-17-10-8-16-14(17)15-7-5-6-11-19-13-12-18-2/h8,10H,3-7,9,11-13H2,1-2H3,(H,15,16).
What are the key properties of 1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine?
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.54, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine is sourced from PubChem (CID 106581195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).