N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine

C14H27N3O2 — CID 106568332

IUPACN-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
SMILESCCCCOCCNc1nccn1CCCOCC
InChIInChI=1S/C14H27N3O2/c1-3-5-11-19-13-8-16-14-15-7-10-17(14)9-6-12-18-4-2/h7,10H,3-6,8-9,11-13H2,1-2H3,(H,15,16)
InChIKeyRXVDIPNDEDYXFM-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.54
Rot. Bonds12

About N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine

N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106568332) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106568332
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
SMILESCCCCOCCNc1nccn1CCCOCC
InChIInChI=1S/C14H27N3O2/c1-3-5-11-19-13-8-16-14-15-7-10-17(14)9-6-12-18-4-2/h7,10H,3-6,8-9,11-13H2,1-2H3,(H,15,16)
InChIKeyRXVDIPNDEDYXFM-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

1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106577176
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106568337
1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559064
N-butyl-1-hexylimidazol-2-amine
CID 106573794

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine (CID 106568332) is N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine is CCCCOCCNc1nccn1CCCOCC.
What is the InChIKey of N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is RXVDIPNDEDYXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-5-11-19-13-8-16-14-15-7-10-17(14)9-6-12-18-4-2/h7,10H,3-6,8-9,11-13H2,1-2H3,(H,15,16).
What are the key properties of N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine?
N-(2-butoxyethyl)-1-(3-ethoxypropyl)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 N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106568332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).