ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine

C12H21N3 — CID 169252244

IUPACethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine
SMILESCC.[H]/N=c1\cc(C(C)C)ccn1/N=C\C
InChIInChI=1S/C10H15N3.C2H6/c1-4-12-13-6-5-9(8(2)3)7-10(13)11;1-2/h4-8,11H,1-3H3;1-2H3/b11-10+,12-4-;
InChIKeyQOGXIEMITROGMS-YBBHSEDMSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds2

About ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine

ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine (PubChem CID 169252244) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine.

Molecular Properties

Compound Nameethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine
PubChem CID169252244
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Nameethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine
SMILESCC.[H]/N=c1\cc(C(C)C)ccn1/N=C\C
InChIInChI=1S/C10H15N3.C2H6/c1-4-12-13-6-5-9(8(2)3)7-10(13)11;1-2/h4-8,11H,1-3H3;1-2H3/b11-10+,12-4-;
InChIKeyQOGXIEMITROGMS-YBBHSEDMSA-N
XLogP2.97
TPSA41.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine?
The IUPAC name of ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine (CID 169252244) is ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine.
What is the SMILES notation for ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine?
The canonical SMILES for ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine is CC.[H]/N=c1\cc(C(C)C)ccn1/N=C\C.
What is the InChIKey of ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine?
The InChIKey is QOGXIEMITROGMS-YBBHSEDMSA-N. The full InChI is InChI=1S/C10H15N3.C2H6/c1-4-12-13-6-5-9(8(2)3)7-10(13)11;1-2/h4-8,11H,1-3H3;1-2H3/b11-10+,12-4-;.
What are the key properties of ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine?
ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine has a molecular weight of 207.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine is sourced from PubChem (CID 169252244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).