N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide

C16H25N3O — CID 80556915

IUPACN-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCC(N)CC1)c1ccc(N)cc1
InChIInChI=1S/C16H25N3O/c1-16(2,11-3-5-12(17)6-4-11)15(20)19-14-9-7-13(18)8-10-14/h3-6,13-14H,7-10,17-18H2,1-2H3,(H,19,20)
InChIKeyBUYOCXVJYBDMQF-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.93
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide

N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide (PubChem CID 80556915) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide
PubChem CID80556915
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCC(N)CC1)c1ccc(N)cc1
InChIInChI=1S/C16H25N3O/c1-16(2,11-3-5-12(17)6-4-11)15(20)19-14-9-7-13(18)8-10-14/h3-6,13-14H,7-10,17-18H2,1-2H3,(H,19,20)
InChIKeyBUYOCXVJYBDMQF-UHFFFAOYSA-N
XLogP1.93
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-2-methyl-2-phenylpropanamide
CID 43653066
N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119475522
2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide
CID 80555969
2-(4-aminophenyl)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide
CID 80556193
N-cyclopentyl-2-methyl-2-(4-methylphenyl)propanamide
CID 113198015
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110893819
2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide
CID 115056293
2-(4-chlorophenyl)-N-cyclopentyl-2-methylpropanamide
CID 47300023
2-amino-N-(4-aminocyclohexyl)-2-methylpropanamide
CID 62319991
2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide
CID 80555199
N-(4-aminocyclohexyl)-2-fluoro-2-methylpropanamide
CID 126982038
2-(4-fluorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119387447

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide (CID 80556915) is N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide is CC(C)(C(=O)NC1CCC(N)CC1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide?
The InChIKey is BUYOCXVJYBDMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,11-3-5-12(17)6-4-11)15(20)19-14-9-7-13(18)8-10-14/h3-6,13-14H,7-10,17-18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide?
N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide is sourced from PubChem (CID 80556915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).