ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine

C14H24N4 — CID 145247694

IUPACethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine
SMILESC=N/C(=c1/cc[nH]c1=C)N1CCN(C)CC1.CC
InChIInChI=1S/C12H18N4.C2H6/c1-10-11(4-5-14-10)12(13-2)16-8-6-15(3)7-9-16;1-2/h4-5,14H,1-2,6-9H2,3H3;1-2H3/b12-11+;
InChIKeyNUOUZVKYQYZORU-CALJPSDSSA-N
MW248.37 g/mol
LogP0.46
Rot. Bonds2

About ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine

ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine (PubChem CID 145247694) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine
PubChem CID145247694
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Nameethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine
SMILESC=N/C(=c1/cc[nH]c1=C)N1CCN(C)CC1.CC
InChIInChI=1S/C12H18N4.C2H6/c1-10-11(4-5-14-10)12(13-2)16-8-6-15(3)7-9-16;1-2/h4-5,14H,1-2,6-9H2,3H3;1-2H3/b12-11+;
InChIKeyNUOUZVKYQYZORU-CALJPSDSSA-N
XLogP0.46
TPSA34.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine?
The IUPAC name of ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine (CID 145247694) is ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine.
What is the SMILES notation for ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine?
The canonical SMILES for ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine is C=N/C(=c1/cc[nH]c1=C)N1CCN(C)CC1.CC.
What is the InChIKey of ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine?
The InChIKey is NUOUZVKYQYZORU-CALJPSDSSA-N. The full InChI is InChI=1S/C12H18N4.C2H6/c1-10-11(4-5-14-10)12(13-2)16-8-6-15(3)7-9-16;1-2/h4-5,14H,1-2,6-9H2,3H3;1-2H3/b12-11+;.
What are the key properties of ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine?
ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine has a molecular weight of 248.37 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)-(4-methylpiperazin-1-yl)methyl]methanimine is sourced from PubChem (CID 145247694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).