(E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine

C8H16N2 — CID 5492886

IUPAC(E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine
SMILESCC/C(C)=N\N=C(/C)CC
InChIInChI=1S/C8H16N2/c1-5-7(3)9-10-8(4)6-2/h5-6H2,1-4H3/b9-7-,10-8+
InChIKeyLAWAERKRWYQEEN-FKJILZIQSA-N
MW140.23 g/mol
LogP2.64
Rot. Bonds3

About (E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine

(E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine (PubChem CID 5492886) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine
PubChem CID5492886
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine
SMILESCC/C(C)=N\N=C(/C)CC
InChIInChI=1S/C8H16N2/c1-5-7(3)9-10-8(4)6-2/h5-6H2,1-4H3/b9-7-,10-8+
InChIKeyLAWAERKRWYQEEN-FKJILZIQSA-N
XLogP2.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.64
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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Related Compounds

Acetazine
CID 79085
3-Pentanone, 2-(1-ethylpropylidene)hydrazone
CID 200337
(E,3E)-3-hydrazinylidene-N-[(E)-[(3E)-3-hydrazinylidenebutan-2-ylidene]amino]butan-2-imine
CID 5466320
2-Diazobutane
CID 12546270
Dimethylketazin
CID 129629877
Methyl ketazine
CID 129868276
(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
CID 90275185
(Z)-N-[(Z)-butan-2-ylideneamino]butan-2-imine
CID 6507122
(E)-3-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]butan-2-imine
CID 12373976
1,1,1-trideuterio-N-(propan-2-ylideneamino)propan-2-imine
CID 91216658
N-(heptan-4-ylideneamino)heptan-4-imine
CID 301565
(E)-N-[(Z)-heptan-3-ylideneamino]heptan-3-imine
CID 5383664

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine?
The IUPAC name of (E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine (CID 5492886) is (E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine.
What is the SMILES notation for (E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine?
The canonical SMILES for (E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine is CC/C(C)=N\N=C(/C)CC.
What is the InChIKey of (E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine?
The InChIKey is LAWAERKRWYQEEN-FKJILZIQSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-7(3)9-10-8(4)6-2/h5-6H2,1-4H3/b9-7-,10-8+.
What are the key properties of (E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine?
(E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine has a molecular weight of 140.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-butan-2-ylideneamino]butan-2-imine is sourced from PubChem (CID 5492886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).