N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine

C14H25N3O — CID 175014999

IUPACN-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine
SMILESCCc1nccn1CCCCNC1CCOCC1
InChIInChI=1S/C14H25N3O/c1-2-14-16-8-10-17(14)9-4-3-7-15-13-5-11-18-12-6-13/h8,10,13,15H,2-7,9,11-12H2,1H3
InChIKeyVOPXYVOSUOPXRH-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.99
Rot. Bonds7

About N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine

N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine (PubChem CID 175014999) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine.

Molecular Properties

Compound NameN-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine
PubChem CID175014999
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine
SMILESCCc1nccn1CCCCNC1CCOCC1
InChIInChI=1S/C14H25N3O/c1-2-14-16-8-10-17(14)9-4-3-7-15-13-5-11-18-12-6-13/h8,10,13,15H,2-7,9,11-12H2,1H3
InChIKeyVOPXYVOSUOPXRH-UHFFFAOYSA-N
XLogP1.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine?
The IUPAC name of N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine (CID 175014999) is N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine.
What is the SMILES notation for N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine?
The canonical SMILES for N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine is CCc1nccn1CCCCNC1CCOCC1.
What is the InChIKey of N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine?
The InChIKey is VOPXYVOSUOPXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-14-16-8-10-17(14)9-4-3-7-15-13-5-11-18-12-6-13/h8,10,13,15H,2-7,9,11-12H2,1H3.
What are the key properties of N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine?
N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine has a molecular weight of 251.37 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylimidazol-1-yl)butyl]oxan-4-amine is sourced from PubChem (CID 175014999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).