ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine

C12H27N3 — CID 153348512

IUPACethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine
SMILESCC.CCN1CCN(/N=C/C(C)C)CC1
InChIInChI=1S/C10H21N3.C2H6/c1-4-12-5-7-13(8-6-12)11-9-10(2)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3/b11-9+;
InChIKeyKUJMMUUNAUIAHT-LBEJWNQZSA-N
MW213.37 g/mol
LogP2.29
Rot. Bonds3

About ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine

ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine (PubChem CID 153348512) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Nameethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine
PubChem CID153348512
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Nameethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine
SMILESCC.CCN1CCN(/N=C/C(C)C)CC1
InChIInChI=1S/C10H21N3.C2H6/c1-4-12-5-7-13(8-6-12)11-9-10(2)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3/b11-9+;
InChIKeyKUJMMUUNAUIAHT-LBEJWNQZSA-N
XLogP2.29
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
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;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine?
The IUPAC name of ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine (CID 153348512) is ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine.
What is the SMILES notation for ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine?
The canonical SMILES for ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine is CC.CCN1CCN(/N=C/C(C)C)CC1.
What is the InChIKey of ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine?
The InChIKey is KUJMMUUNAUIAHT-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H21N3.C2H6/c1-4-12-5-7-13(8-6-12)11-9-10(2)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3/b11-9+;.
What are the key properties of ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine?
ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine has a molecular weight of 213.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 153348512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).