2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide

C16H25N3O — CID 43276216

IUPAC2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C16H25N3O/c1-3-18(4-2)16(20)12-19(15-9-10-15)14-7-5-13(11-17)6-8-14/h5-8,15H,3-4,9-12,17H2,1-2H3
InChIKeyJIJIKIMTVAROJP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.98
Rot. Bonds7

About 2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide

2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide (PubChem CID 43276216) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide
PubChem CID43276216
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C16H25N3O/c1-3-18(4-2)16(20)12-19(15-9-10-15)14-7-5-13(11-17)6-8-14/h5-8,15H,3-4,9-12,17H2,1-2H3
InChIKeyJIJIKIMTVAROJP-UHFFFAOYSA-N
XLogP1.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide (CID 43276216) is 2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1ccc(CN)cc1)C1CC1.
What is the InChIKey of 2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide?
The InChIKey is JIJIKIMTVAROJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-18(4-2)16(20)12-19(15-9-10-15)14-7-5-13(11-17)6-8-14/h5-8,15H,3-4,9-12,17H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide?
2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide is sourced from PubChem (CID 43276216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).