[amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate

C9H24N4O4S — CID 135506208

IUPAC[amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate
SMILESCCCN(CC[NH2+]C(N)=[NH2+])C(C)C.O=S(=O)([O-])[O-]
InChIInChI=1S/C9H22N4.H2O4S/c1-4-6-13(8(2)3)7-5-12-9(10)11;1-5(2,3)4/h8H,4-7H2,1-3H3,(H4,10,11,12);(H2,1,2,3,4)
InChIKeyAGMZJFOYZIPBGE-UHFFFAOYSA-N
MW284.38 g/mol
LogP-3.59
Rot. Bonds6

About [amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate

[amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate (PubChem CID 135506208) has the molecular formula C9H24N4O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is [amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate.

Molecular Properties

Compound Name[amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate
PubChem CID135506208
Molecular FormulaC9H24N4O4S
Molecular Weight284.38 g/mol
Exact Mass284.15
IUPAC Name[amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate
SMILESCCCN(CC[NH2+]C(N)=[NH2+])C(C)C.O=S(=O)([O-])[O-]
InChIInChI=1S/C9H22N4.H2O4S/c1-4-6-13(8(2)3)7-5-12-9(10)11;1-5(2,3)4/h8H,4-7H2,1-3H3,(H4,10,11,12);(H2,1,2,3,4)
InChIKeyAGMZJFOYZIPBGE-UHFFFAOYSA-N
XLogP-3.59
TPSA151.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-3.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

[amino(azaniumylidene)methyl]-[2-(diethylamino)ethyl]azanium sulfate
CID 135506204
2-(dipropylamino)propanamide
CID 18474126
1-N-propan-2-yl-1-N-propylbutane-1,3-diamine
CID 43269493
1-[propan-2-yl(propyl)amino]propan-2-one
CID 43795396
bis(tetramethylphosphanium);sulfate
CID 87132356
3,3-dimethyl-4-[propan-2-yl(propyl)amino]butan-2-one
CID 66452724
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
(2R)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 103934466
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine
CID 171588586
aluminum;diaminomethylideneazanium;sulfate
CID 135853176

Frequently Asked Questions

What is the IUPAC name of [amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate?
The IUPAC name of [amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate (CID 135506208) is [amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate.
What is the SMILES notation for [amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate?
The canonical SMILES for [amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate is CCCN(CC[NH2+]C(N)=[NH2+])C(C)C.O=S(=O)([O-])[O-].
What is the InChIKey of [amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate?
The InChIKey is AGMZJFOYZIPBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4.H2O4S/c1-4-6-13(8(2)3)7-5-12-9(10)11;1-5(2,3)4/h8H,4-7H2,1-3H3,(H4,10,11,12);(H2,1,2,3,4).
What are the key properties of [amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate?
[amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate has a molecular weight of 284.38 g/mol, XLogP of -3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(azaniumylidene)methyl]-[2-[propan-2-yl(propyl)amino]ethyl]azanium sulfate is sourced from PubChem (CID 135506208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).