1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine

C14H25N3O2 — CID 106566033

IUPAC1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NCC1CCCOC1
InChIInChI=1S/C14H25N3O2/c1-2-18-10-4-7-17-8-6-15-14(17)16-11-13-5-3-9-19-12-13/h6,8,13H,2-5,7,9-12H2,1H3,(H,15,16)
InChIKeyYLNBFGWLMMBZLX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.15
Rot. Bonds8

About 1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine

1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine (PubChem CID 106566033) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine
PubChem CID106566033
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NCC1CCCOC1
InChIInChI=1S/C14H25N3O2/c1-2-18-10-4-7-17-8-6-15-14(17)16-11-13-5-3-9-19-12-13/h6,8,13H,2-5,7,9-12H2,1H3,(H,15,16)
InChIKeyYLNBFGWLMMBZLX-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576791
1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine
CID 106559623
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-(cyclobutylmethyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106561470
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
CID 106561310
1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine
CID 62133287
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574360
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine (CID 106566033) is 1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine is CCOCCCn1ccnc1NCC1CCCOC1.
What is the InChIKey of 1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine?
The InChIKey is YLNBFGWLMMBZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-18-10-4-7-17-8-6-15-14(17)16-11-13-5-3-9-19-12-13/h6,8,13H,2-5,7,9-12H2,1H3,(H,15,16).
What are the key properties of 1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine?
1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106566033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).