2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine

C13H22N2O — CID 64761102

IUPAC2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine
SMILESCc1cc(CNC2CCC(C)CC2C)on1
InChIInChI=1S/C13H22N2O/c1-9-4-5-13(10(2)6-9)14-8-12-7-11(3)15-16-12/h7,9-10,13-14H,4-6,8H2,1-3H3
InChIKeyMEBVDMNFZKAFCE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.90
Rot. Bonds3

About 2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine

2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 64761102) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID64761102
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine
SMILESCc1cc(CNC2CCC(C)CC2C)on1
InChIInChI=1S/C13H22N2O/c1-9-4-5-13(10(2)6-9)14-8-12-7-11(3)15-16-12/h7,9-10,13-14H,4-6,8H2,1-3H3
InChIKeyMEBVDMNFZKAFCE-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 60712181
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
2-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
CID 115717519
5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103251961
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 81170767
2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]oxan-3-amine
CID 126857076
N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66474224
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 104926931
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549657
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545774
N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994650

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine (CID 64761102) is 2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine is Cc1cc(CNC2CCC(C)CC2C)on1.
What is the InChIKey of 2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is MEBVDMNFZKAFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-4-5-13(10(2)6-9)14-8-12-7-11(3)15-16-12/h7,9-10,13-14H,4-6,8H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine?
2,4-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.90, 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-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64761102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).