N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide

C17H26N2O — CID 106123345

IUPACN-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2CCCC(N)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-11-7-12(2)16(13(3)8-11)17(20)19-10-14-5-4-6-15(18)9-14/h7-8,14-15H,4-6,9-10,18H2,1-3H3,(H,19,20)
InChIKeyZCYYHGYSXMHCPP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.86
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide

N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide (PubChem CID 106123345) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
PubChem CID106123345
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2CCCC(N)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-11-7-12(2)16(13(3)8-11)17(20)19-10-14-5-4-6-15(18)9-14/h7-8,14-15H,4-6,9-10,18H2,1-3H3,(H,19,20)
InChIKeyZCYYHGYSXMHCPP-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide
CID 106123128
N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106133711
N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106123350
N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 106123913
N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106134544
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256
N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106123491
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106123533
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
CID 106123228
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide (CID 106123345) is N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCC2CCCC(N)C2)c(C)c1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The InChIKey is ZCYYHGYSXMHCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11-7-12(2)16(13(3)8-11)17(20)19-10-14-5-4-6-15(18)9-14/h7-8,14-15H,4-6,9-10,18H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide?
N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 106123345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).