1-(butan-2-ylideneamino)ethylidene-dimethylazanium

C8H17N2+ — CID 91175550

IUPAC1-(butan-2-ylideneamino)ethylidene-dimethylazanium
SMILESCC/C(C)=N/C(C)=[N+](C)C
InChIInChI=1S/C8H17N2/c1-6-7(2)9-8(3)10(4)5/h6H2,1-5H3/q+1
InChIKeyRJVAEPIKGCNKCZ-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.55
Rot. Bonds1

About 1-(butan-2-ylideneamino)ethylidene-dimethylazanium

1-(butan-2-ylideneamino)ethylidene-dimethylazanium (PubChem CID 91175550) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is 1-(butan-2-ylideneamino)ethylidene-dimethylazanium.

Molecular Properties

Compound Name1-(butan-2-ylideneamino)ethylidene-dimethylazanium
PubChem CID91175550
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Name1-(butan-2-ylideneamino)ethylidene-dimethylazanium
SMILESCC/C(C)=N/C(C)=[N+](C)C
InChIInChI=1S/C8H17N2/c1-6-7(2)9-8(3)10(4)5/h6H2,1-5H3/q+1
InChIKeyRJVAEPIKGCNKCZ-UHFFFAOYSA-N
XLogP1.55
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
N-butan-2-ylidenehydroxylamine
CID 7292
N-butan-2-ylidenehydroxylamine;vanadium
CID 162258260
1-butan-2-ylideneguanidine
CID 161053722
N-[(butan-2-ylideneamino)oxy-methoxy-methylsilyl]oxybutan-2-imine
CID 54422536
(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol
CID 142201906
N-(propan-2-ylideneamino)butan-2-imine
CID 59062083
N-[bis[(butan-2-ylideneamino)oxy]-ethylsilyl]oxybutan-2-imine
CID 54447675
(NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine
CID 172954644
N-propan-2-ylbutan-2-imine
CID 535666
(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane
CID 89392475
N-butan-2-ylidenehydroxylamine;carbonic acid
CID 87857804

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylideneamino)ethylidene-dimethylazanium?
The IUPAC name of 1-(butan-2-ylideneamino)ethylidene-dimethylazanium (CID 91175550) is 1-(butan-2-ylideneamino)ethylidene-dimethylazanium.
What is the SMILES notation for 1-(butan-2-ylideneamino)ethylidene-dimethylazanium?
The canonical SMILES for 1-(butan-2-ylideneamino)ethylidene-dimethylazanium is CC/C(C)=N/C(C)=[N+](C)C.
What is the InChIKey of 1-(butan-2-ylideneamino)ethylidene-dimethylazanium?
The InChIKey is RJVAEPIKGCNKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2/c1-6-7(2)9-8(3)10(4)5/h6H2,1-5H3/q+1.
What are the key properties of 1-(butan-2-ylideneamino)ethylidene-dimethylazanium?
1-(butan-2-ylideneamino)ethylidene-dimethylazanium has a molecular weight of 141.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylideneamino)ethylidene-dimethylazanium is sourced from PubChem (CID 91175550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).