3-[(4-aminocyclohexyl)amino]-2-methylbenzamide

C14H21N3O — CID 79723896

IUPAC3-[(4-aminocyclohexyl)amino]-2-methylbenzamide
SMILESCc1c(NC2CCC(N)CC2)cccc1C(N)=O
InChIInChI=1S/C14H21N3O/c1-9-12(14(16)18)3-2-4-13(9)17-11-7-5-10(15)6-8-11/h2-4,10-11,17H,5-8,15H2,1H3,(H2,16,18)
InChIKeyLKRPFMQPUKZLJD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.78
Rot. Bonds3

About 3-[(4-aminocyclohexyl)amino]-2-methylbenzamide

3-[(4-aminocyclohexyl)amino]-2-methylbenzamide (PubChem CID 79723896) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)amino]-2-methylbenzamide
PubChem CID79723896
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[(4-aminocyclohexyl)amino]-2-methylbenzamide
SMILESCc1c(NC2CCC(N)CC2)cccc1C(N)=O
InChIInChI=1S/C14H21N3O/c1-9-12(14(16)18)3-2-4-13(9)17-11-7-5-10(15)6-8-11/h2-4,10-11,17H,5-8,15H2,1H3,(H2,16,18)
InChIKeyLKRPFMQPUKZLJD-UHFFFAOYSA-N
XLogP1.78
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)amino]-2-methylbenzamide?
The IUPAC name of 3-[(4-aminocyclohexyl)amino]-2-methylbenzamide (CID 79723896) is 3-[(4-aminocyclohexyl)amino]-2-methylbenzamide.
What is the SMILES notation for 3-[(4-aminocyclohexyl)amino]-2-methylbenzamide?
The canonical SMILES for 3-[(4-aminocyclohexyl)amino]-2-methylbenzamide is Cc1c(NC2CCC(N)CC2)cccc1C(N)=O.
What is the InChIKey of 3-[(4-aminocyclohexyl)amino]-2-methylbenzamide?
The InChIKey is LKRPFMQPUKZLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-12(14(16)18)3-2-4-13(9)17-11-7-5-10(15)6-8-11/h2-4,10-11,17H,5-8,15H2,1H3,(H2,16,18).
What are the key properties of 3-[(4-aminocyclohexyl)amino]-2-methylbenzamide?
3-[(4-aminocyclohexyl)amino]-2-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)amino]-2-methylbenzamide is sourced from PubChem (CID 79723896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).