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

C17H26N2O — CID 107174541

IUPACN-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCCC1(C)C)c1ccc(CN)cc1
InChIInChI=1S/C17H26N2O/c1-17(2)11-5-4-6-15(17)16(20)19(3)14-9-7-13(12-18)8-10-14/h7-10,15H,4-6,11-12,18H2,1-3H3
InChIKeyYDSKCJJLRZWBSF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.32
Rot. Bonds3

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

N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide (PubChem CID 107174541) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide
PubChem CID107174541
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCCC1(C)C)c1ccc(CN)cc1
InChIInChI=1S/C17H26N2O/c1-17(2)11-5-4-6-15(17)16(20)19(3)14-9-7-13(12-18)8-10-14/h7-10,15H,4-6,11-12,18H2,1-3H3
InChIKeyYDSKCJJLRZWBSF-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-ethyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107174542
N,2,2-trimethyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 107182878
N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide
CID 55048035
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea
CID 116658108
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107174662
N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104917093
4-[[(2,2-dimethylcyclopentanecarbonyl)-methylamino]methyl]benzoic acid
CID 107175270
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
CID 54939453
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107174465
N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180341
N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
CID 65019275

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide (CID 107174541) is N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide is CN(C(=O)C1CCCCC1(C)C)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide?
The InChIKey is YDSKCJJLRZWBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2)11-5-4-6-15(17)16(20)19(3)14-9-7-13(12-18)8-10-14/h7-10,15H,4-6,11-12,18H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide?
N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.32, 3 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,2,2-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107174541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).