1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine

C13H22N2O — CID 51076898

IUPAC1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCc1cc(CN(C)CC2CCCCC2)no1
InChIInChI=1S/C13H22N2O/c1-11-8-13(14-16-11)10-15(2)9-12-6-4-3-5-7-12/h8,12H,3-7,9-10H2,1-2H3
InChIKeyWVWQPWWRWCGMDE-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.00
Rot. Bonds4

About 1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine

1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (PubChem CID 51076898) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
PubChem CID51076898
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCc1cc(CN(C)CC2CCCCC2)no1
InChIInChI=1S/C13H22N2O/c1-11-8-13(14-16-11)10-15(2)9-12-6-4-3-5-7-12/h8,12H,3-7,9-10H2,1-2H3
InChIKeyWVWQPWWRWCGMDE-UHFFFAOYSA-N
XLogP3.00
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (CID 51076898) is 1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is Cc1cc(CN(C)CC2CCCCC2)no1.
What is the InChIKey of 1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The InChIKey is WVWQPWWRWCGMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-8-13(14-16-11)10-15(2)9-12-6-4-3-5-7-12/h8,12H,3-7,9-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine has a molecular weight of 222.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is sourced from PubChem (CID 51076898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).