3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline

C15H24N4 — CID 153231614

IUPAC3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
SMILES[H]/N=C/c1cccc(NCCCN2CCN(C)CC2)c1
InChIInChI=1S/C15H24N4/c1-18-8-10-19(11-9-18)7-3-6-17-15-5-2-4-14(12-15)13-16/h2,4-5,12-13,16-17H,3,6-11H2,1H3/b16-13+
InChIKeyWPRCFJYUIOMVDB-DTQAZKPQSA-N
MW260.38 g/mol
LogP1.73
Rot. Bonds6

About 3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline

3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline (PubChem CID 153231614) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline.

Molecular Properties

Compound Name3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
PubChem CID153231614
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
SMILES[H]/N=C/c1cccc(NCCCN2CCN(C)CC2)c1
InChIInChI=1S/C15H24N4/c1-18-8-10-19(11-9-18)7-3-6-17-15-5-2-4-14(12-15)13-16/h2,4-5,12-13,16-17H,3,6-11H2,1H3/b16-13+
InChIKeyWPRCFJYUIOMVDB-DTQAZKPQSA-N
XLogP1.73
TPSA42.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The IUPAC name of 3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline (CID 153231614) is 3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline.
What is the SMILES notation for 3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The canonical SMILES for 3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline is [H]/N=C/c1cccc(NCCCN2CCN(C)CC2)c1.
What is the InChIKey of 3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline?
The InChIKey is WPRCFJYUIOMVDB-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H24N4/c1-18-8-10-19(11-9-18)7-3-6-17-15-5-2-4-14(12-15)13-16/h2,4-5,12-13,16-17H,3,6-11H2,1H3/b16-13+.
What are the key properties of 3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline?
3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline has a molecular weight of 260.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline is sourced from PubChem (CID 153231614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).