[5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine

C10H17N3O — CID 115020322

IUPAC[5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine
SMILESCC1(c2cnc(CN)[nH]2)CCCOC1
InChIInChI=1S/C10H17N3O/c1-10(3-2-4-14-7-10)8-6-12-9(5-11)13-8/h6H,2-5,7,11H2,1H3,(H,12,13)
InChIKeyPKCIBTXDPJTDDM-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.94
Rot. Bonds2

About [5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine

[5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine (PubChem CID 115020322) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine
PubChem CID115020322
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine
SMILESCC1(c2cnc(CN)[nH]2)CCCOC1
InChIInChI=1S/C10H17N3O/c1-10(3-2-4-14-7-10)8-6-12-9(5-11)13-8/h6H,2-5,7,11H2,1H3,(H,12,13)
InChIKeyPKCIBTXDPJTDDM-UHFFFAOYSA-N
XLogP0.94
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine (CID 115020322) is [5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine is CC1(c2cnc(CN)[nH]2)CCCOC1.
What is the InChIKey of [5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine?
The InChIKey is PKCIBTXDPJTDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(3-2-4-14-7-10)8-6-12-9(5-11)13-8/h6H,2-5,7,11H2,1H3,(H,12,13).
What are the key properties of [5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine?
[5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 115020322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).