3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine

C11H19N3 — CID 123946826

IUPAC3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(N2CCN(C)CC2)CCC1
InChIInChI=1S/C11H19N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h9,12H,2-8H2,1H3/b12-10+
InChIKeyGBFBUHHGYNFAIM-ZRDIBKRKSA-N
MW193.29 g/mol
LogP1.32
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine

3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine (PubChem CID 123946826) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine
PubChem CID123946826
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(N2CCN(C)CC2)CCC1
InChIInChI=1S/C11H19N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h9,12H,2-8H2,1H3/b12-10+
InChIKeyGBFBUHHGYNFAIM-ZRDIBKRKSA-N
XLogP1.32
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 ≤ 51.32
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-(1-Cyclohexen-1-yl)-4-methylpiperazine
CID 15363494
(4R)-4-(4-methylpiperazin-1-yl)cyclohexen-1-amine
CID 89473921
4-(4-Methylpiperazin-1-yl)cyclohexen-1-amine
CID 89473970
1-(6-But-1-en-2-yl-2,3-dihydropyridin-5-yl)piperazine
CID 117852720
(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine
CID 123714224
5-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123715700
4-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123877561
(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide
CID 140972589
Ethane;6-(1-methylpiperidin-2-yl)-3,4-dihydropyridine
CID 144108443
ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine
CID 145198032
3-Methyl-5-(piperidin-1-ylmethyl)-1lambda3-ioda-2,6-diazacyclohexa-1,3,5-triene
CID 163474338
N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine
CID 163677699

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine (CID 123946826) is 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine is [H]/N=C1/C=C(N2CCN(C)CC2)CCC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
The InChIKey is GBFBUHHGYNFAIM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h9,12H,2-8H2,1H3/b12-10+.
What are the key properties of 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine?
3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine has a molecular weight of 193.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-imine is sourced from PubChem (CID 123946826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).