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

C9H15N3O — CID 63359807

IUPACN-(1H-imidazol-2-ylmethyl)oxan-3-amine
SMILESc1c[nH]c(CNC2CCCOC2)n1
InChIInChI=1S/C9H15N3O/c1-2-8(7-13-5-1)12-6-9-10-3-4-11-9/h3-4,8,12H,1-2,5-7H2,(H,10,11)
InChIKeyWWRQXWHJKBNPES-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.68
Rot. Bonds3

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

N-(1H-imidazol-2-ylmethyl)oxan-3-amine (PubChem CID 63359807) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)oxan-3-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)oxan-3-amine
PubChem CID63359807
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)oxan-3-amine
SMILESc1c[nH]c(CNC2CCCOC2)n1
InChIInChI=1S/C9H15N3O/c1-2-8(7-13-5-1)12-6-9-10-3-4-11-9/h3-4,8,12H,1-2,5-7H2,(H,10,11)
InChIKeyWWRQXWHJKBNPES-UHFFFAOYSA-N
XLogP0.68
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)oxan-3-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)oxan-3-amine (CID 63359807) is N-(1H-imidazol-2-ylmethyl)oxan-3-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)oxan-3-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)oxan-3-amine is c1c[nH]c(CNC2CCCOC2)n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)oxan-3-amine?
The InChIKey is WWRQXWHJKBNPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-8(7-13-5-1)12-6-9-10-3-4-11-9/h3-4,8,12H,1-2,5-7H2,(H,10,11).
What are the key properties of N-(1H-imidazol-2-ylmethyl)oxan-3-amine?
N-(1H-imidazol-2-ylmethyl)oxan-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)oxan-3-amine is sourced from PubChem (CID 63359807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).