N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide

C17H26N2O — CID 107174542

IUPACN-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide
SMILESCCN(C(=O)C1CCCC1(C)C)c1ccc(CN)cc1
InChIInChI=1S/C17H26N2O/c1-4-19(14-9-7-13(12-18)8-10-14)16(20)15-6-5-11-17(15,2)3/h7-10,15H,4-6,11-12,18H2,1-3H3
InChIKeyBKNSSQDIXFXCFD-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.32
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide

N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174542) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174542
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide
SMILESCCN(C(=O)C1CCCC1(C)C)c1ccc(CN)cc1
InChIInChI=1S/C17H26N2O/c1-4-19(14-9-7-13(12-18)8-10-14)16(20)15-6-5-11-17(15,2)3/h7-10,15H,4-6,11-12,18H2,1-3H3
InChIKeyBKNSSQDIXFXCFD-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107174541
N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
CID 65019275
N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106825964
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107179782
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
CID 43275737
N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
4-[[(2,2-dimethylcyclopentanecarbonyl)-methylamino]methyl]benzoic acid
CID 107175270
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174661
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107174465
N,2,2-trimethyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 107182878
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide
CID 104668912

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide (CID 107174542) is N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide is CCN(C(=O)C1CCCC1(C)C)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is BKNSSQDIXFXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-19(14-9-7-13(12-18)8-10-14)16(20)15-6-5-11-17(15,2)3/h7-10,15H,4-6,11-12,18H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide?
N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).