(E)-N-(propan-2-ylideneamino)but-3-en-2-imine

C7H12N2 — CID 123155816

IUPAC(E)-N-(propan-2-ylideneamino)but-3-en-2-imine
SMILESC=C/C(C)=N/N=C(C)C
InChIInChI=1S/C7H12N2/c1-5-7(4)9-8-6(2)3/h5H,1H2,2-4H3/b9-7+
InChIKeyFJJKQFWDTUEKKR-VQHVLOKHSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds2

About (E)-N-(propan-2-ylideneamino)but-3-en-2-imine

(E)-N-(propan-2-ylideneamino)but-3-en-2-imine (PubChem CID 123155816) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (E)-N-(propan-2-ylideneamino)but-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-(propan-2-ylideneamino)but-3-en-2-imine
PubChem CID123155816
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(E)-N-(propan-2-ylideneamino)but-3-en-2-imine
SMILESC=C/C(C)=N/N=C(C)C
InChIInChI=1S/C7H12N2/c1-5-7(4)9-8-6(2)3/h5H,1H2,2-4H3/b9-7+
InChIKeyFJJKQFWDTUEKKR-VQHVLOKHSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
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

Vinylmethylketone hydrazone
CID 129769827
(Z)-1,1,1-trifluoro-N-(propan-2-ylideneamino)but-3-en-2-imine
CID 123258309
(E)-1,1,1-trifluoro-N-(propan-2-ylideneamino)but-3-en-2-imine
CID 177057511
(Z)-N-[(Z)-but-3-en-2-ylideneamino]but-3-en-2-imine
CID 21558409
N-(but-3-en-2-ylideneamino)but-3-en-2-imine
CID 73796018
(Z)-N-[(Z)-ethylideneamino]but-3-en-2-imine
CID 90089205
3-Diazobut-1-ene
CID 101626610
(E)-N-[(E)-ethylideneamino]but-3-en-2-imine
CID 118403896
N-(propan-2-ylideneamino)but-3-en-2-imine
CID 123200583
(Z)-N-(methylideneamino)but-3-en-2-imine
CID 123235248
(Z)-N-(propan-2-ylideneamino)but-3-en-2-imine
CID 123592222
N-(ethylideneamino)but-3-en-2-imine
CID 123768954

Frequently Asked Questions

What is the IUPAC name of (E)-N-(propan-2-ylideneamino)but-3-en-2-imine?
The IUPAC name of (E)-N-(propan-2-ylideneamino)but-3-en-2-imine (CID 123155816) is (E)-N-(propan-2-ylideneamino)but-3-en-2-imine.
What is the SMILES notation for (E)-N-(propan-2-ylideneamino)but-3-en-2-imine?
The canonical SMILES for (E)-N-(propan-2-ylideneamino)but-3-en-2-imine is C=C/C(C)=N/N=C(C)C.
What is the InChIKey of (E)-N-(propan-2-ylideneamino)but-3-en-2-imine?
The InChIKey is FJJKQFWDTUEKKR-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-7(4)9-8-6(2)3/h5H,1H2,2-4H3/b9-7+.
What are the key properties of (E)-N-(propan-2-ylideneamino)but-3-en-2-imine?
(E)-N-(propan-2-ylideneamino)but-3-en-2-imine has a molecular weight of 124.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(propan-2-ylideneamino)but-3-en-2-imine is sourced from PubChem (CID 123155816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).