4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine

C11H19N3 — CID 123877561

IUPAC4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(N2CCN(C)CC2)CC1
InChIInChI=1S/C11H19N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2,4,11-12H,3,5-9H2,1H3/b12-10-
InChIKeySNMOERKAXOATBX-BENRWUELSA-N
MW193.29 g/mol
LogP0.97
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine

4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine (PubChem CID 123877561) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine
PubChem CID123877561
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(N2CCN(C)CC2)CC1
InChIInChI=1S/C11H19N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2,4,11-12H,3,5-9H2,1H3/b12-10-
InChIKeySNMOERKAXOATBX-BENRWUELSA-N
XLogP0.97
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.97
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

1-Cyclohex-2-en-1-yl-4-methylpiperazine
CID 67175725
1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
CID 91418414
5-Piperidin-1-yl-6-prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 123144126
1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
CID 123199265
5-Methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
CID 123282533
4-imino-N,N-dimethylcyclohex-2-en-1-amine
CID 123329264
(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine
CID 123359389
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
5-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123715700
4-(4-Ethylpiperazin-1-yl)cyclohex-2-en-1-amine
CID 123815338
N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 123915938
1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine
CID 123942337

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine (CID 123877561) is 4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine is [H]/N=C1/C=CC(N2CCN(C)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
The InChIKey is SNMOERKAXOATBX-BENRWUELSA-N. The full InChI is InChI=1S/C11H19N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2,4,11-12H,3,5-9H2,1H3/b12-10-.
What are the key properties of 4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine has a molecular weight of 193.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine is sourced from PubChem (CID 123877561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).