4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide

C15H28N2O2 — CID 63995716

IUPAC4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
SMILESCC1CCC(NC(=O)C2(CN)CCOCC2)C(C)C1
InChIInChI=1S/C15H28N2O2/c1-11-3-4-13(12(2)9-11)17-14(18)15(10-16)5-7-19-8-6-15/h11-13H,3-10,16H2,1-2H3,(H,17,18)
InChIKeyWOPLOGBVIZSSLN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.68
Rot. Bonds3

About 4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide (PubChem CID 63995716) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
PubChem CID63995716
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
SMILESCC1CCC(NC(=O)C2(CN)CCOCC2)C(C)C1
InChIInChI=1S/C15H28N2O2/c1-11-3-4-13(12(2)9-11)17-14(18)15(10-16)5-7-19-8-6-15/h11-13H,3-10,16H2,1-2H3,(H,17,18)
InChIKeyWOPLOGBVIZSSLN-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)oxane-4-carboxamide
CID 51073130
N-(2,6-dimethylcyclohexyl)-2-(oxan-3-yl)acetamide
CID 121519285
4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide
CID 115439122
4-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide
CID 115439131
4-(aminomethyl)-N-[2-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide
CID 115439132
4-(aminomethyl)-N-[3-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride
CID 120920926
4-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]oxane-4-carboxamide;hydrochloride
CID 120921018
4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120933070
4-(aminomethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]oxane-4-carboxamide
CID 120933071
N-(4-methylcyclohexyl)oxane-4-carboxamide
CID 39958727
N-(4-propan-2-ylcyclohexyl)oxane-4-carboxamide
CID 68067746
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)oxane-4-carboxamide
CID 122679850

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide (CID 63995716) is 4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide is CC1CCC(NC(=O)C2(CN)CCOCC2)C(C)C1.
What is the InChIKey of 4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide?
The InChIKey is WOPLOGBVIZSSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-3-4-13(12(2)9-11)17-14(18)15(10-16)5-7-19-8-6-15/h11-13H,3-10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide is sourced from PubChem (CID 63995716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).