3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine

C14H24N2O — CID 113359579

IUPAC3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CC(NCc2cnco2)CC(C)(C)C1
InChIInChI=1S/C14H24N2O/c1-13(2)5-11(6-14(3,4)9-13)16-8-12-7-15-10-17-12/h7,10-11,16H,5-6,8-9H2,1-4H3
InChIKeyQUNXZZMOEXRLIX-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.37
Rot. Bonds3

About 3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine

3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 113359579) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID113359579
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CC(NCc2cnco2)CC(C)(C)C1
InChIInChI=1S/C14H24N2O/c1-13(2)5-11(6-14(3,4)9-13)16-8-12-7-15-10-17-12/h7,10-11,16H,5-6,8-9H2,1-4H3
InChIKeyQUNXZZMOEXRLIX-UHFFFAOYSA-N
XLogP3.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine (CID 113359579) is 3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine is CC1(C)CC(NCc2cnco2)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is QUNXZZMOEXRLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2)5-11(6-14(3,4)9-13)16-8-12-7-15-10-17-12/h7,10-11,16H,5-6,8-9H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 113359579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).