N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide

C17H26N2O — CID 106825964

IUPACN-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(C)CCCCC1)c1ccc(CN)cc1
InChIInChI=1S/C17H26N2O/c1-3-19(15-9-7-14(13-18)8-10-15)16(20)17(2)11-5-4-6-12-17/h7-10H,3-6,11-13,18H2,1-2H3
InChIKeyPMUORRGOHSPSSZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.47
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide

N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide (PubChem CID 106825964) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide
PubChem CID106825964
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1(C)CCCCC1)c1ccc(CN)cc1
InChIInChI=1S/C17H26N2O/c1-3-19(15-9-7-14(13-18)8-10-15)16(20)17(2)11-5-4-6-12-17/h7-10H,3-6,11-13,18H2,1-2H3
InChIKeyPMUORRGOHSPSSZ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106826094
N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107174542
N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
CID 65019275
N-(3-aminopropyl)-1-methyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 106825938
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide
CID 104668912
N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide
CID 106826043
N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107174541
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 104678097
1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
CID 79154788

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide (CID 106825964) is N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide is CCN(C(=O)C1(C)CCCCC1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide?
The InChIKey is PMUORRGOHSPSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19(15-9-7-14(13-18)8-10-15)16(20)17(2)11-5-4-6-12-17/h7-10H,3-6,11-13,18H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide?
N-[4-(aminomethyl)phenyl]-N-ethyl-1-methylcyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.47, 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-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106825964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).