2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine

C12H20N2O — CID 81170767

IUPAC2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2ccon2)C(C)C1
InChIInChI=1S/C12H20N2O/c1-9-3-4-12(10(2)7-9)13-8-11-5-6-15-14-11/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3
InChIKeyDDTONRPKZYRAAS-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.59
Rot. Bonds3

About 2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine

2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine (PubChem CID 81170767) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
PubChem CID81170767
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2ccon2)C(C)C1
InChIInChI=1S/C12H20N2O/c1-9-3-4-12(10(2)7-9)13-8-11-5-6-15-14-11/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3
InChIKeyDDTONRPKZYRAAS-UHFFFAOYSA-N
XLogP2.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 80709898
4-ethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 79496315
2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine
CID 64761102
N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63996436
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64799940
4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81343852
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-(1,2-oxazol-3-ylmethyl)-3-propan-2-ylcyclobutan-1-amine
CID 103562122
6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904706
2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 81170404
N-(1,2-oxazol-3-ylmethyl)-4-propylcyclohexan-1-amine
CID 79496112
N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994093

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine (CID 81170767) is 2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine is CC1CCC(NCc2ccon2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is DDTONRPKZYRAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-3-4-12(10(2)7-9)13-8-11-5-6-15-14-11/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine?
2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 81170767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).