4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine

C12H22N4 — CID 123335578

IUPAC4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine
SMILES[H]/N=C1/C(CC)N(C2CCCC2)CCN1/C=N/[H]
InChIInChI=1S/C12H22N4/c1-2-11-12(14)15(9-13)7-8-16(11)10-5-3-4-6-10/h9-11,13-14H,2-8H2,1H3/b13-9+,14-12-
InChIKeyMESYGVYXHMLQCH-CPUWGDESSA-N
MW222.34 g/mol
LogP1.91
Rot. Bonds3

About 4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine

4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine (PubChem CID 123335578) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine.

Molecular Properties

Compound Name4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine
PubChem CID123335578
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine
SMILES[H]/N=C1/C(CC)N(C2CCCC2)CCN1/C=N/[H]
InChIInChI=1S/C12H22N4/c1-2-11-12(14)15(9-13)7-8-16(11)10-5-3-4-6-10/h9-11,13-14H,2-8H2,1H3/b13-9+,14-12-
InChIKeyMESYGVYXHMLQCH-CPUWGDESSA-N
XLogP1.91
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methylpiperazin-1-yl)pentan-1-imine
CID 12283374
N-methyl-N-(2-piperidin-1-ylethyl)ethanimidamide
CID 59020810
1-Propan-2-ylpiperidin-2-imine
CID 61523047
1-(4-Cyclohexylpiperazin-1-yl)butan-1-imine
CID 89336941
2-(2,3-Dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine
CID 129059279
N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide
CID 139390767
ethane;3-(4-ethanimidoylpiperazin-1-yl)-N,N-dimethylpentan-1-amine
CID 142132343
ethane;N-ethanimidoyl-N-(1-methylpiperidin-4-yl)ethanimidamide
CID 142313234
1-Methanimidoyl-4-propan-2-ylpiperazin-2-imine
CID 149414119
6-Methyl-1-propanimidoylpiperidin-2-imine
CID 155700442
1-Ethanimidoyl-6-iminopiperidin-3-amine
CID 169669707
3-(4-Methylpiperazin-1-yl)pentanimidamide
CID 43367811

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine?
The IUPAC name of 4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine (CID 123335578) is 4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine.
What is the SMILES notation for 4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine?
The canonical SMILES for 4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine is [H]/N=C1/C(CC)N(C2CCCC2)CCN1/C=N/[H].
What is the InChIKey of 4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine?
The InChIKey is MESYGVYXHMLQCH-CPUWGDESSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-11-12(14)15(9-13)7-8-16(11)10-5-3-4-6-10/h9-11,13-14H,2-8H2,1H3/b13-9+,14-12-.
What are the key properties of 4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine?
4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine has a molecular weight of 222.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-ethyl-1-methanimidoylpiperazin-2-imine is sourced from PubChem (CID 123335578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).