N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H28N2O2 — CID 112603464

IUPACN-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN(C(=O)COC(C)(C)C)C1CCCCC1CN
InChIInChI=1S/C14H28N2O2/c1-14(2,3)18-10-13(17)16(4)12-8-6-5-7-11(12)9-15/h11-12H,5-10,15H2,1-4H3
InChIKeyPOLHPQMTSTZOMO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112603464) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112603464
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN(C(=O)COC(C)(C)C)C1CCCCC1CN
InChIInChI=1S/C14H28N2O2/c1-14(2,3)18-10-13(17)16(4)12-8-6-5-7-11(12)9-15/h11-12H,5-10,15H2,1-4H3
InChIKeyPOLHPQMTSTZOMO-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604739
N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide
CID 114028634
2-(aminomethyl)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112590913
N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide
CID 79160948
N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide
CID 79151771
N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
CID 103310395
N-[2-(aminomethyl)cyclopentyl]-N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148477
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide
CID 112602797
N-[2-(aminomethyl)cyclopentyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002255
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide
CID 104520757
N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104520756
(2S)-N-[2-(aminomethyl)cyclohexyl]-N-methyloxolane-2-carboxamide
CID 113462519

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112603464) is N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is CN(C(=O)COC(C)(C)C)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is POLHPQMTSTZOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)18-10-13(17)16(4)12-8-6-5-7-11(12)9-15/h11-12H,5-10,15H2,1-4H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112603464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).