[1-amino-3-(butylideneamino)propyl]-trimethylazanium

C10H24N3+ — CID 174531694

IUPAC[1-amino-3-(butylideneamino)propyl]-trimethylazanium
SMILESCCC/C=N/CCC(N)[N+](C)(C)C
InChIInChI=1S/C10H24N3/c1-5-6-8-12-9-7-10(11)13(2,3)4/h8,10H,5-7,9,11H2,1-4H3/q+1/b12-8+
InChIKeyAJLANYWLUDVSNQ-XYOKQWHBSA-N
MW186.32 g/mol
LogP1.24
Rot. Bonds6

About [1-amino-3-(butylideneamino)propyl]-trimethylazanium

[1-amino-3-(butylideneamino)propyl]-trimethylazanium (PubChem CID 174531694) has the molecular formula C10H24N3+ and a molecular weight of 186.32 g/mol. Its IUPAC name is [1-amino-3-(butylideneamino)propyl]-trimethylazanium.

Molecular Properties

Compound Name[1-amino-3-(butylideneamino)propyl]-trimethylazanium
PubChem CID174531694
Molecular FormulaC10H24N3+
Molecular Weight186.32 g/mol
Exact Mass186.20
IUPAC Name[1-amino-3-(butylideneamino)propyl]-trimethylazanium
SMILESCCC/C=N/CCC(N)[N+](C)(C)C
InChIInChI=1S/C10H24N3/c1-5-6-8-12-9-7-10(11)13(2,3)4/h8,10H,5-7,9,11H2,1-4H3/q+1/b12-8+
InChIKeyAJLANYWLUDVSNQ-XYOKQWHBSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 [1-amino-3-(butylideneamino)propyl]-trimethylazanium?
The IUPAC name of [1-amino-3-(butylideneamino)propyl]-trimethylazanium (CID 174531694) is [1-amino-3-(butylideneamino)propyl]-trimethylazanium.
What is the SMILES notation for [1-amino-3-(butylideneamino)propyl]-trimethylazanium?
The canonical SMILES for [1-amino-3-(butylideneamino)propyl]-trimethylazanium is CCC/C=N/CCC(N)[N+](C)(C)C.
What is the InChIKey of [1-amino-3-(butylideneamino)propyl]-trimethylazanium?
The InChIKey is AJLANYWLUDVSNQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H24N3/c1-5-6-8-12-9-7-10(11)13(2,3)4/h8,10H,5-7,9,11H2,1-4H3/q+1/b12-8+.
What are the key properties of [1-amino-3-(butylideneamino)propyl]-trimethylazanium?
[1-amino-3-(butylideneamino)propyl]-trimethylazanium has a molecular weight of 186.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(butylideneamino)propyl]-trimethylazanium is sourced from PubChem (CID 174531694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).