diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium

C15H32N5O2+ — CID 145315282

IUPACdiaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium
SMILESCNC(=O)C(C)(C)CC(C)(C)CNC(=O)CCC[NH+]=C(N)N
InChIInChI=1S/C15H31N5O2/c1-14(2,9-15(3,4)12(22)18-5)10-20-11(21)7-6-8-19-13(16)17/h6-10H2,1-5H3,(H,18,22)(H,20,21)(H4,16,17,19)/p+1
InChIKeyYZUGVKYALXDDHO-UHFFFAOYSA-O
MW314.45 g/mol
LogP-1.57
Rot. Bonds9

About diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium

diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium (PubChem CID 145315282) has the molecular formula C15H32N5O2+ and a molecular weight of 314.45 g/mol. Its IUPAC name is diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium
PubChem CID145315282
Molecular FormulaC15H32N5O2+
Molecular Weight314.45 g/mol
Exact Mass314.26
IUPAC Namediaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium
SMILESCNC(=O)C(C)(C)CC(C)(C)CNC(=O)CCC[NH+]=C(N)N
InChIInChI=1S/C15H31N5O2/c1-14(2,9-15(3,4)12(22)18-5)10-20-11(21)7-6-8-19-13(16)17/h6-10H2,1-5H3,(H,18,22)(H,20,21)(H4,16,17,19)/p+1
InChIKeyYZUGVKYALXDDHO-UHFFFAOYSA-O
XLogP-1.57
TPSA124.21 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium?
The IUPAC name of diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium (CID 145315282) is diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium.
What is the SMILES notation for diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium?
The canonical SMILES for diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium is CNC(=O)C(C)(C)CC(C)(C)CNC(=O)CCC[NH+]=C(N)N.
What is the InChIKey of diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium?
The InChIKey is YZUGVKYALXDDHO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H31N5O2/c1-14(2,9-15(3,4)12(22)18-5)10-20-11(21)7-6-8-19-13(16)17/h6-10H2,1-5H3,(H,18,22)(H,20,21)(H4,16,17,19)/p+1.
What are the key properties of diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium?
diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium has a molecular weight of 314.45 g/mol, XLogP of -1.57, 9 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[4-oxo-4-[[2,2,4,4-tetramethyl-5-(methylamino)-5-oxopentyl]amino]butyl]azanium is sourced from PubChem (CID 145315282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).