1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+)

C12H22N4OU — CID 163806260

IUPAC1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+)
SMILESCNC1=CCC(N(C[C-](N)N)C[C-](C)O)C=C1.[U+2]
InChIInChI=1S/C12H22N4O.U/c1-9(17)7-16(8-12(13)14)11-5-3-10(15-2)4-6-11;/h3-5,11,15,17H,6-8,13-14H2,1-2H3;/q-2;+2
InChIKeyFQYQGEOSCYUNLT-UHFFFAOYSA-N
MW476.36 g/mol
LogP0.05
Rot. Bonds6

About 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+)

1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+) (PubChem CID 163806260) has the molecular formula C12H22N4OU and a molecular weight of 476.36 g/mol. Its IUPAC name is 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+).

Molecular Properties

Compound Name1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+)
PubChem CID163806260
Molecular FormulaC12H22N4OU
Molecular Weight476.36 g/mol
Exact Mass476.23
IUPAC Name1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+)
SMILESCNC1=CCC(N(C[C-](N)N)C[C-](C)O)C=C1.[U+2]
InChIInChI=1S/C12H22N4O.U/c1-9(17)7-16(8-12(13)14)11-5-3-10(15-2)4-6-11;/h3-5,11,15,17H,6-8,13-14H2,1-2H3;/q-2;+2
InChIKeyFQYQGEOSCYUNLT-UHFFFAOYSA-N
XLogP0.05
TPSA87.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.36
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+) with MolForge

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Related Compounds

2-[4-(3-Aminocyclohexa-2,4-dien-1-yl)piperazin-1-yl]ethanol
CID 68306182
2-[4-(4-Aminocyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanol
CID 123776511
2-[4-(4-Aminocyclohexa-2,4-dien-1-yl)piperazin-1-yl]ethanol
CID 139311008
(2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol
CID 168968812
6-Amino-2-piperazin-1-ylcyclohexa-1,3-dien-1-ol
CID 176132453
1-[2,2-Diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol
CID 163806261

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+)?
The IUPAC name of 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+) (CID 163806260) is 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+).
What is the SMILES notation for 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+)?
The canonical SMILES for 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+) is CNC1=CCC(N(C[C-](N)N)C[C-](C)O)C=C1.[U+2].
What is the InChIKey of 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+)?
The InChIKey is FQYQGEOSCYUNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.U/c1-9(17)7-16(8-12(13)14)11-5-3-10(15-2)4-6-11;/h3-5,11,15,17H,6-8,13-14H2,1-2H3;/q-2;+2.
What are the key properties of 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+)?
1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+) has a molecular weight of 476.36 g/mol, XLogP of 0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-diaminoethyl-[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]propan-2-ol;uranium(2+) is sourced from PubChem (CID 163806260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).