N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine

C12H23N3O — CID 106568337

IUPACN-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine
SMILESCCCCOCCNc1nccn1C(C)C
InChIInChI=1S/C12H23N3O/c1-4-5-9-16-10-7-14-12-13-6-8-15(12)11(2)3/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,13,14)
InChIKeyRNFPVRVUAZMBHS-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.69
Rot. Bonds8

About N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine

N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106568337) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106568337
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine
SMILESCCCCOCCNc1nccn1C(C)C
InChIInChI=1S/C12H23N3O/c1-4-5-9-16-10-7-14-12-13-6-8-15(12)11(2)3/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,13,14)
InChIKeyRNFPVRVUAZMBHS-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581608
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572234
N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine
CID 106581739
N-(3-methylsulfanylpropyl)-1-propan-2-ylimidazol-2-amine
CID 106573657
N-butyl-1-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
CID 106581318
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106571263
N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730942

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine (CID 106568337) is N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine is CCCCOCCNc1nccn1C(C)C.
What is the InChIKey of N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is RNFPVRVUAZMBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-5-9-16-10-7-14-12-13-6-8-15(12)11(2)3/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,13,14).
What are the key properties of N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine?
N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106568337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).