1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide

C15H22N4O2 — CID 106319264

IUPAC1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C15H22N4O2/c1-15(13(20)17-2)7-8-19(10-15)14(21)18-12-5-3-11(9-16)4-6-12/h3-6H,7-10,16H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVOUQWISDGDHFCL-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.14
Rot. Bonds3

About 1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide

1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide (PubChem CID 106319264) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
PubChem CID106319264
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C15H22N4O2/c1-15(13(20)17-2)7-8-19(10-15)14(21)18-12-5-3-11(9-16)4-6-12/h3-6H,7-10,16H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVOUQWISDGDHFCL-UHFFFAOYSA-N
XLogP1.14
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
3-methyl-1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079106
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 61440098
1-N-(1-benzylcyclopropyl)-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide
CID 138056644
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
1-[4-(aminomethyl)-2-methylphenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319231
N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide
CID 106670528
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
N-[4-(aminomethyl)phenyl]-3,5-dioxopiperazine-1-carboxamide
CID 66061825
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
CID 106103750
1-[1-(aminomethyl)cyclohexanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318011

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide (CID 106319264) is 1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide is CNC(=O)C1(C)CCN(C(=O)Nc2ccc(CN)cc2)C1.
What is the InChIKey of 1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide?
The InChIKey is VOUQWISDGDHFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(13(20)17-2)7-8-19(10-15)14(21)18-12-5-3-11(9-16)4-6-12/h3-6H,7-10,16H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide?
1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(aminomethyl)phenyl]-3-N,3-dimethylpyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 106319264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).