cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone

C20H28N2O2 — CID 175039329

IUPACcyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone
SMILESNc1ccc(N)c(C(=O)C2CCCCC2)c1C(=O)C1CCCCC1
InChIInChI=1S/C20H28N2O2/c21-15-11-12-16(22)18(20(24)14-9-5-2-6-10-14)17(15)19(23)13-7-3-1-4-8-13/h11-14H,1-10,21-22H2
InChIKeyJSAPTMNVEHRONH-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.38
Rot. Bonds4

About cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone

cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone (PubChem CID 175039329) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone
PubChem CID175039329
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Namecyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone
SMILESNc1ccc(N)c(C(=O)C2CCCCC2)c1C(=O)C1CCCCC1
InChIInChI=1S/C20H28N2O2/c21-15-11-12-16(22)18(20(24)14-9-5-2-6-10-14)17(15)19(23)13-7-3-1-4-8-13/h11-14H,1-10,21-22H2
InChIKeyJSAPTMNVEHRONH-UHFFFAOYSA-N
XLogP4.38
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl-(4,6-diaminotriazin-5-yl)methanone
CID 141052840
(2-amino-5-bromophenyl)-cyclopentylmethanone
CID 66998843
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
(3-amino-2-pyridinyl)-cyclohexylmethanone
CID 116613694
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
cyclopentyl-(2,6-dimethylphenyl)methanone
CID 24724167
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
(2-amino-4-bromophenyl)-cyclopentylmethanone
CID 116591688
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
cyclobutyl-(2,6-dimethylphenyl)methanone
CID 24724132
(2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone
CID 177138344
N-(4-amino-3-hydroxyphenyl)cyclohexanecarboxamide
CID 143616752

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone?
The IUPAC name of cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone (CID 175039329) is cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone.
What is the SMILES notation for cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone?
The canonical SMILES for cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone is Nc1ccc(N)c(C(=O)C2CCCCC2)c1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone?
The InChIKey is JSAPTMNVEHRONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c21-15-11-12-16(22)18(20(24)14-9-5-2-6-10-14)17(15)19(23)13-7-3-1-4-8-13/h11-14H,1-10,21-22H2.
What are the key properties of cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone?
cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone has a molecular weight of 328.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone is sourced from PubChem (CID 175039329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).