N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine

C14H25N3O2 — CID 106562068

IUPACN-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine
SMILESCCOCCCNc1nccn1C(C)C1CCCO1
InChIInChI=1S/C14H25N3O2/c1-3-18-10-5-7-15-14-16-8-9-17(14)12(2)13-6-4-11-19-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,15,16)
InChIKeyGPTFVCKDUGOWJK-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.46
Rot. Bonds8

About N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine

N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine (PubChem CID 106562068) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine
PubChem CID106562068
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine
SMILESCCOCCCNc1nccn1C(C)C1CCCO1
InChIInChI=1S/C14H25N3O2/c1-3-18-10-5-7-15-14-16-8-9-17(14)12(2)13-6-4-11-19-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,15,16)
InChIKeyGPTFVCKDUGOWJK-UHFFFAOYSA-N
XLogP2.46
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.46
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-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106571263
N-(3-ethoxypropyl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582627
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
1-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106562060
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572234
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
N-(3-ethoxypropyl)-1-(1-pyridin-3-ylethyl)imidazol-2-amine
CID 106561960
4-methyl-1-[1-(oxolan-2-yl)ethyl]-N-propylimidazol-2-amine
CID 106562062
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106557775
N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106568337
1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578245

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine (CID 106562068) is N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine is CCOCCCNc1nccn1C(C)C1CCCO1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine?
The InChIKey is GPTFVCKDUGOWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-18-10-5-7-15-14-16-8-9-17(14)12(2)13-6-4-11-19-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine?
N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106562068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).