tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium

C19H42N3+ — CID 163212745

IUPACtributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium
SMILESCCCC/N=C(\N(C)C)[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C19H42N3/c1-7-11-15-20-19(21(5)6)22(16-12-8-2,17-13-9-3)18-14-10-4/h7-18H2,1-6H3/q+1/b20-19+
InChIKeyQSXNUHDWHONMGH-FMQUCBEESA-N
MW312.57 g/mol
LogP4.92
Rot. Bonds12

About tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium

tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium (PubChem CID 163212745) has the molecular formula C19H42N3+ and a molecular weight of 312.57 g/mol. Its IUPAC name is tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium.

Molecular Properties

Compound Nametributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium
PubChem CID163212745
Molecular FormulaC19H42N3+
Molecular Weight312.57 g/mol
Exact Mass312.34
IUPAC Nametributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium
SMILESCCCC/N=C(\N(C)C)[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C19H42N3/c1-7-11-15-20-19(21(5)6)22(16-12-8-2,17-13-9-3)18-14-10-4/h7-18H2,1-6H3/q+1/b20-19+
InChIKeyQSXNUHDWHONMGH-FMQUCBEESA-N
XLogP4.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(N,N-dibutyl-N'-propylcarbamimidoyl)-tripropylazanium
CID 163212730
2-butyl-1,1-dimethylguanidine;hydroiodide
CID 130748355
1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
methyl N'-butyl-N-(dimethylcarbamoyl)carbamimidate
CID 54566375
N,N,2-trimethyl-N'-pentylpropanimidamide
CID 525910
N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide
CID 525616
CID 155632800
CID 155632800
carbonic acid;N,N-dimethyl-N'-octylethanimidamide
CID 173151477
carbonic acid;N'-hexyl-N,N-dimethylethanimidamide
CID 173151515
2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
CID 136598188
CID 140734254
CID 140734254

Frequently Asked Questions

What is the IUPAC name of tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium?
The IUPAC name of tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium (CID 163212745) is tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium.
What is the SMILES notation for tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium?
The canonical SMILES for tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium is CCCC/N=C(\N(C)C)[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium?
The InChIKey is QSXNUHDWHONMGH-FMQUCBEESA-N. The full InChI is InChI=1S/C19H42N3/c1-7-11-15-20-19(21(5)6)22(16-12-8-2,17-13-9-3)18-14-10-4/h7-18H2,1-6H3/q+1/b20-19+.
What are the key properties of tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium?
tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium has a molecular weight of 312.57 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium is sourced from PubChem (CID 163212745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).