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

C14H24N2O — CID 64738720

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCc1noc(C)c1CNC1CCC(C)C(C)C1
InChIInChI=1S/C14H24N2O/c1-9-5-6-13(7-10(9)2)15-8-14-11(3)16-17-12(14)4/h9-10,13,15H,5-8H2,1-4H3
InChIKeyNMLRILCOOVYFMW-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.21
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 64738720) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID64738720
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCc1noc(C)c1CNC1CCC(C)C(C)C1
InChIInChI=1S/C14H24N2O/c1-9-5-6-13(7-10(9)2)15-8-14-11(3)16-17-12(14)4/h9-10,13,15H,5-8H2,1-4H3
InChIKeyNMLRILCOOVYFMW-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylcyclopentan-1-amine
CID 97039099
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 78915034
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63042988
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-4-amine
CID 43215966
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817757
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentan-1-ol
CID 102733691
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625283
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 61210087
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 79231652
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115712436
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 64738720) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine is Cc1noc(C)c1CNC1CCC(C)C(C)C1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is NMLRILCOOVYFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-5-6-13(7-10(9)2)15-8-14-11(3)16-17-12(14)4/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64738720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).