4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline

C14H22N2 — CID 62136200

IUPAC4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
SMILESCCN(C)c1ccc(CNC2CC2)c(C)c1
InChIInChI=1S/C14H22N2/c1-4-16(3)14-8-5-12(11(2)9-14)10-15-13-6-7-13/h5,8-9,13,15H,4,6-7,10H2,1-3H3
InChIKeyRSXMCZFUZAULDP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.70
Rot. Bonds5

About 4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline

4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline (PubChem CID 62136200) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
PubChem CID62136200
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
SMILESCCN(C)c1ccc(CNC2CC2)c(C)c1
InChIInChI=1S/C14H22N2/c1-4-16(3)14-8-5-12(11(2)9-14)10-15-13-6-7-13/h5,8-9,13,15H,4,6-7,10H2,1-3H3
InChIKeyRSXMCZFUZAULDP-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline (CID 62136200) is 4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline is CCN(C)c1ccc(CNC2CC2)c(C)c1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline?
The InChIKey is RSXMCZFUZAULDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-16(3)14-8-5-12(11(2)9-14)10-15-13-6-7-13/h5,8-9,13,15H,4,6-7,10H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline?
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline has a molecular weight of 218.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline is sourced from PubChem (CID 62136200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).