ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine

C9H18N2 — CID 145193196

IUPACethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine
SMILESC=C/C(C)=N\N=C(C)C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-5-7(4)9-8-6(2)3;1-2/h5H,1H2,2-4H3;1-2H3/b9-7-;
InChIKeySBHQFEZGKUJTNE-VILQZVERSA-N
MW154.26 g/mol
LogP3.06
Rot. Bonds2

About ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine

ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine (PubChem CID 145193196) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine
PubChem CID145193196
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine
SMILESC=C/C(C)=N\N=C(C)C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-5-7(4)9-8-6(2)3;1-2/h5H,1H2,2-4H3;1-2H3/b9-7-;
InChIKeySBHQFEZGKUJTNE-VILQZVERSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine?
The IUPAC name of ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine (CID 145193196) is ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine?
The canonical SMILES for ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine is C=C/C(C)=N\N=C(C)C.CC.
What is the InChIKey of ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine?
The InChIKey is SBHQFEZGKUJTNE-VILQZVERSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-5-7(4)9-8-6(2)3;1-2/h5H,1H2,2-4H3;1-2H3/b9-7-;.
What are the key properties of ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine?
ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine has a molecular weight of 154.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine is sourced from PubChem (CID 145193196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).