3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide

C14H21N3O — CID 55061487

IUPAC3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C14H21N3O/c1-16-14(18)8-9-17(13-6-7-13)12-4-2-11(10-15)3-5-12/h2-5,13H,6-10,15H2,1H3,(H,16,18)
InChIKeyHGSLDJQMPKQDPT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.25
Rot. Bonds6

About 3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide

3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide (PubChem CID 55061487) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide
PubChem CID55061487
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide
SMILESCNC(=O)CCN(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C14H21N3O/c1-16-14(18)8-9-17(13-6-7-13)12-4-2-11(10-15)3-5-12/h2-5,13H,6-10,15H2,1H3,(H,16,18)
InChIKeyHGSLDJQMPKQDPT-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)-N-cyclopropylanilino]-N-carbamoylacetamide
CID 43276200
2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide
CID 43276217
5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol
CID 62228812
2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide
CID 43276216
N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
CID 82927051
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
1-[4-(aminomethyl)-N-cyclopropylanilino]-3-methylbutan-2-ol
CID 114249457
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481
N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
CID 16780915
4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494006
3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide
CID 106914441
2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone
CID 43276249

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide?
The IUPAC name of 3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide (CID 55061487) is 3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide?
The canonical SMILES for 3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide is CNC(=O)CCN(c1ccc(CN)cc1)C1CC1.
What is the InChIKey of 3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide?
The InChIKey is HGSLDJQMPKQDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-14(18)8-9-17(13-6-7-13)12-4-2-11(10-15)3-5-12/h2-5,13H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide?
3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-N-cyclopropylanilino]-N-methylpropanamide is sourced from PubChem (CID 55061487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).