diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium

C11H23N2+ — CID 174946249

IUPACdiethyl-(3-imino-4-methylpent-4-enyl)-methylazanium
SMILES[H]/N=C(/CC[N+](C)(CC)CC)C(=C)C
InChIInChI=1S/C11H23N2/c1-6-13(5,7-2)9-8-11(12)10(3)4/h12H,3,6-9H2,1-2,4-5H3/q+1/b12-11-
InChIKeyPTLMGCBUUWVXLR-QXMHVHEDSA-N
MW183.32 g/mol
LogP2.46
Rot. Bonds6

About diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium

diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium (PubChem CID 174946249) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium.

Molecular Properties

Compound Namediethyl-(3-imino-4-methylpent-4-enyl)-methylazanium
PubChem CID174946249
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Namediethyl-(3-imino-4-methylpent-4-enyl)-methylazanium
SMILES[H]/N=C(/CC[N+](C)(CC)CC)C(=C)C
InChIInChI=1S/C11H23N2/c1-6-13(5,7-2)9-8-11(12)10(3)4/h12H,3,6-9H2,1-2,4-5H3/q+1/b12-11-
InChIKeyPTLMGCBUUWVXLR-QXMHVHEDSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium?
The IUPAC name of diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium (CID 174946249) is diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium.
What is the SMILES notation for diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium?
The canonical SMILES for diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium is [H]/N=C(/CC[N+](C)(CC)CC)C(=C)C.
What is the InChIKey of diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium?
The InChIKey is PTLMGCBUUWVXLR-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H23N2/c1-6-13(5,7-2)9-8-11(12)10(3)4/h12H,3,6-9H2,1-2,4-5H3/q+1/b12-11-.
What are the key properties of diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium?
diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium has a molecular weight of 183.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium is sourced from PubChem (CID 174946249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).