N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide

C14H20N2O — CID 107000215

IUPACN-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(N)cc1)C(=O)C1CC1(C)C
InChIInChI=1S/C14H20N2O/c1-14(2)8-12(14)13(17)16(3)9-10-4-6-11(15)7-5-10/h4-7,12H,8-9,15H2,1-3H3
InChIKeyIJXXSNDKNIWLIC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.27
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide

N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide (PubChem CID 107000215) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
PubChem CID107000215
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(N)cc1)C(=O)C1CC1(C)C
InChIInChI=1S/C14H20N2O/c1-14(2)8-12(14)13(17)16(3)9-10-4-6-11(15)7-5-10/h4-7,12H,8-9,15H2,1-3H3
InChIKeyIJXXSNDKNIWLIC-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-aminophenyl)methyl]-3-cyclopropyl-1-methylurea
CID 62699468
4-[[(2,2-dimethylcyclopentanecarbonyl)-methylamino]methyl]benzoic acid
CID 107175270
1-[(4-aminophenyl)methyl]-3-ethyl-1,3-dimethylurea
CID 79159501
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
methyl 4-[[(2,2-dichlorocyclopropanecarbonyl)-methylamino]methyl]benzoate
CID 78858359
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide
CID 43458114
N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601790
1-[(4-aminophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 43458218
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916
2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 114997651

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide (CID 107000215) is N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide is CN(Cc1ccc(N)cc1)C(=O)C1CC1(C)C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
The InChIKey is IJXXSNDKNIWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2)8-12(14)13(17)16(3)9-10-4-6-11(15)7-5-10/h4-7,12H,8-9,15H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107000215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).