N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide

C16H24N2O — CID 79121701

IUPACN-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(C)C2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-12(2)15(10-11)16(19)18(3)14-8-6-13(17)7-9-14/h4-5,10,13-14H,6-9,17H2,1-3H3
InChIKeyNTGVCPFFBLWFFZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.65
Rot. Bonds2

About N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide

N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide (PubChem CID 79121701) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
PubChem CID79121701
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(C)C2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-12(2)15(10-11)16(19)18(3)14-8-6-13(17)7-9-14/h4-5,10,13-14H,6-9,17H2,1-3H3
InChIKeyNTGVCPFFBLWFFZ-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
CID 81480735
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
2-amino-N-cyclopentyl-N,5-dimethylbenzamide
CID 62509333
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
N-cyclopentyl-2-hydrazinyl-N,5-dimethylbenzamide
CID 62513481
N-cycloheptyl-2-hydroxy-N,5-dimethylbenzamide
CID 43409240
N-(4-aminocyclohexyl)-N,3-dimethylthiophene-2-carboxamide
CID 79120887
N-cyclopropyl-2-(ethylamino)-N,5-dimethylbenzamide
CID 62508986
N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide
CID 79116898

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide (CID 79121701) is N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide is Cc1ccc(C)c(C(=O)N(C)C2CCC(N)CC2)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide?
The InChIKey is NTGVCPFFBLWFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-4-5-12(2)15(10-11)16(19)18(3)14-8-6-13(17)7-9-14/h4-5,10,13-14H,6-9,17H2,1-3H3.
What are the key properties of N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide?
N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide is sourced from PubChem (CID 79121701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).