N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane

C14H31N — CID 142047244

IUPACN-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
SMILESC=C/C(C)=N/C(C)=C\C.CC.CC.CC
InChIInChI=1S/C8H13N.3C2H6/c1-5-7(3)9-8(4)6-2;3*1-2/h5-6H,1H2,2-4H3;3*1-2H3/b8-6-,9-7+;;;
InChIKeyQPUZGPVFZKRQAP-SEEFDMFWSA-N
MW213.41 g/mol
LogP5.64
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane

N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane (PubChem CID 142047244) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
PubChem CID142047244
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
SMILESC=C/C(C)=N/C(C)=C\C.CC.CC.CC
InChIInChI=1S/C8H13N.3C2H6/c1-5-7(3)9-8(4)6-2;3*1-2/h5-6H,1H2,2-4H3;3*1-2H3/b8-6-,9-7+;;;
InChIKeyQPUZGPVFZKRQAP-SEEFDMFWSA-N
XLogP5.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.41
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane
CID 143774568
N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine
CID 139359343
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
ethane;(Z)-N-(methylideneamino)but-3-en-2-imine
CID 143330418
(Z)-N-[(Z)-ethylideneamino]but-3-en-2-imine
CID 90089205
N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
CID 142586154
(3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine
CID 143256701
(E)-N-methoxybut-3-en-2-imine
CID 142905738
N-[(Z)-but-3-en-2-ylideneamino]-N-methylethenamine;ethane
CID 177175992
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane?
The IUPAC name of N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane (CID 142047244) is N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane is C=C/C(C)=N/C(C)=C\C.CC.CC.CC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane?
The InChIKey is QPUZGPVFZKRQAP-SEEFDMFWSA-N. The full InChI is InChI=1S/C8H13N.3C2H6/c1-5-7(3)9-8(4)6-2;3*1-2/h5-6H,1H2,2-4H3;3*1-2H3/b8-6-,9-7+;;;.
What are the key properties of N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane?
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane has a molecular weight of 213.41 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane is sourced from PubChem (CID 142047244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).