4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile

C14H20N4 — CID 104711681

IUPAC4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile
SMILESCCN1CCCC(Nc2cc(C#N)ccc2N)C1
InChIInChI=1S/C14H20N4/c1-2-18-7-3-4-12(10-18)17-14-8-11(9-15)5-6-13(14)16/h5-6,8,12,17H,2-4,7,10,16H2,1H3
InChIKeyMZVDIMNAAFPCSW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.04
Rot. Bonds3

About 4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile

4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile (PubChem CID 104711681) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile
PubChem CID104711681
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile
SMILESCCN1CCCC(Nc2cc(C#N)ccc2N)C1
InChIInChI=1S/C14H20N4/c1-2-18-7-3-4-12(10-18)17-14-8-11(9-15)5-6-13(14)16/h5-6,8,12,17H,2-4,7,10,16H2,1H3
InChIKeyMZVDIMNAAFPCSW-UHFFFAOYSA-N
XLogP2.04
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile?
The IUPAC name of 4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile (CID 104711681) is 4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile.
What is the SMILES notation for 4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile?
The canonical SMILES for 4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile is CCN1CCCC(Nc2cc(C#N)ccc2N)C1.
What is the InChIKey of 4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile?
The InChIKey is MZVDIMNAAFPCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-18-7-3-4-12(10-18)17-14-8-11(9-15)5-6-13(14)16/h5-6,8,12,17H,2-4,7,10,16H2,1H3.
What are the key properties of 4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile?
4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile is sourced from PubChem (CID 104711681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).