(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride

C11H22Cl2N2O — CID 69278445

IUPAC(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride
SMILESCCCCCCc1nc(C)oc1CN.Cl.Cl
InChIInChI=1S/C11H20N2O.2ClH/c1-3-4-5-6-7-10-11(8-12)14-9(2)13-10;;/h3-8,12H2,1-2H3;2*1H
InChIKeyLIEVTCSGPHSLOZ-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.41
Rot. Bonds6

About (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride

(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride (PubChem CID 69278445) has the molecular formula C11H22Cl2N2O and a molecular weight of 269.22 g/mol. Its IUPAC name is (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride
PubChem CID69278445
Molecular FormulaC11H22Cl2N2O
Molecular Weight269.22 g/mol
Exact Mass268.11
IUPAC Name(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride
SMILESCCCCCCc1nc(C)oc1CN.Cl.Cl
InChIInChI=1S/C11H20N2O.2ClH/c1-3-4-5-6-7-10-11(8-12)14-9(2)13-10;;/h3-8,12H2,1-2H3;2*1H
InChIKeyLIEVTCSGPHSLOZ-UHFFFAOYSA-N
XLogP3.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine
CID 69278446
(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
CID 65428930
1,4-dihexylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 141389615
2-methyl-4,5,6-tripentylpyrimidine
CID 66935521
2-propyl-4,5,6-tri(tetracosyl)pyrimidine
CID 91806969
4,5,6-tri(docosyl)-2-propylpyrimidine
CID 90898493
2-ethyl-4,5,6-tri(heptadecyl)pyrimidine
CID 91384633
5-hexyl-2,3-dimethylimidazol-4-amine
CID 62226133
2-bromo-4-hexyl-5-iodo-1,3-oxazole
CID 58017999
3,4-dipentyl-1,2,5-oxadiazole
CID 70008061
5-hexyl-2-methyl-1,3-benzoxazol-6-ol
CID 12886748
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417

Frequently Asked Questions

What is the IUPAC name of (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride?
The IUPAC name of (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride (CID 69278445) is (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride.
What is the SMILES notation for (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride?
The canonical SMILES for (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride is CCCCCCc1nc(C)oc1CN.Cl.Cl.
What is the InChIKey of (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride?
The InChIKey is LIEVTCSGPHSLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.2ClH/c1-3-4-5-6-7-10-11(8-12)14-9(2)13-10;;/h3-8,12H2,1-2H3;2*1H.
What are the key properties of (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride?
(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride has a molecular weight of 269.22 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride is sourced from PubChem (CID 69278445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).