5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine

C13H23N3 — CID 123282533

IUPAC5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(CN2CCN(C)CC2)C(C)C1
InChIInChI=1S/C13H23N3/c1-11-9-13(14)4-3-12(11)10-16-7-5-15(2)6-8-16/h3-4,11-12,14H,5-10H2,1-2H3/b14-13-
InChIKeyUXCDQFXKFGHFGE-YPKPFQOOSA-N
MW221.35 g/mol
LogP1.47
Rot. Bonds2

About 5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine

5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine (PubChem CID 123282533) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine.

Molecular Properties

Compound Name5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
PubChem CID123282533
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(CN2CCN(C)CC2)C(C)C1
InChIInChI=1S/C13H23N3/c1-11-9-13(14)4-3-12(11)10-16-7-5-15(2)6-8-16/h3-4,11-12,14H,5-10H2,1-2H3/b14-13-
InChIKeyUXCDQFXKFGHFGE-YPKPFQOOSA-N
XLogP1.47
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine
CID 123261359
5-(1-Fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
CID 123277706
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
1-Cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine
CID 123477319
1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine
CID 123479366
5-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123715700
N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine
CID 123781711
4-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123877561
1-Cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-propylpiperazin-1-yl)hexan-1-imine
CID 123916865
N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine
CID 123984515

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine?
The IUPAC name of 5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine (CID 123282533) is 5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine.
What is the SMILES notation for 5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine?
The canonical SMILES for 5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine is [H]/N=C1/C=CC(CN2CCN(C)CC2)C(C)C1.
What is the InChIKey of 5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine?
The InChIKey is UXCDQFXKFGHFGE-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-9-13(14)4-3-12(11)10-16-7-5-15(2)6-8-16/h3-4,11-12,14H,5-10H2,1-2H3/b14-13-.
What are the key properties of 5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine?
5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine has a molecular weight of 221.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine is sourced from PubChem (CID 123282533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).