[5-(ethylideneamino)-4-methylpentan-2-yl]azanium

C8H19N2+ — CID 59074131

IUPAC[5-(ethylideneamino)-4-methylpentan-2-yl]azanium
SMILESC/C=N/CC(C)CC(C)[NH3+]
InChIInChI=1S/C8H18N2/c1-4-10-6-7(2)5-8(3)9/h4,7-8H,5-6,9H2,1-3H3/p+1/b10-4+
InChIKeyRKLJXEJCDMHGCC-ONNFQVAWSA-O
MW143.25 g/mol
LogP0.73
Rot. Bonds4

About [5-(ethylideneamino)-4-methylpentan-2-yl]azanium

[5-(ethylideneamino)-4-methylpentan-2-yl]azanium (PubChem CID 59074131) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is [5-(ethylideneamino)-4-methylpentan-2-yl]azanium.

Molecular Properties

Compound Name[5-(ethylideneamino)-4-methylpentan-2-yl]azanium
PubChem CID59074131
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC Name[5-(ethylideneamino)-4-methylpentan-2-yl]azanium
SMILESC/C=N/CC(C)CC(C)[NH3+]
InChIInChI=1S/C8H18N2/c1-4-10-6-7(2)5-8(3)9/h4,7-8H,5-6,9H2,1-3H3/p+1/b10-4+
InChIKeyRKLJXEJCDMHGCC-ONNFQVAWSA-O
XLogP0.73
TPSA40.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(ethylideneamino)-4-methylpentan-2-yl]azanium?
The IUPAC name of [5-(ethylideneamino)-4-methylpentan-2-yl]azanium (CID 59074131) is [5-(ethylideneamino)-4-methylpentan-2-yl]azanium.
What is the SMILES notation for [5-(ethylideneamino)-4-methylpentan-2-yl]azanium?
The canonical SMILES for [5-(ethylideneamino)-4-methylpentan-2-yl]azanium is C/C=N/CC(C)CC(C)[NH3+].
What is the InChIKey of [5-(ethylideneamino)-4-methylpentan-2-yl]azanium?
The InChIKey is RKLJXEJCDMHGCC-ONNFQVAWSA-O. The full InChI is InChI=1S/C8H18N2/c1-4-10-6-7(2)5-8(3)9/h4,7-8H,5-6,9H2,1-3H3/p+1/b10-4+.
What are the key properties of [5-(ethylideneamino)-4-methylpentan-2-yl]azanium?
[5-(ethylideneamino)-4-methylpentan-2-yl]azanium has a molecular weight of 143.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylideneamino)-4-methylpentan-2-yl]azanium is sourced from PubChem (CID 59074131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).