(2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium

C11H17N2OU- — CID 171815797

IUPAC(2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium
SMILESCNc1[c-]c(CNC[C@@H](C)O)ccc1.[U]
InChIInChI=1S/C11H17N2O.U/c1-9(14)7-13-8-10-4-3-5-11(6-10)12-2;/h3-5,9,12-14H,7-8H2,1-2H3;/q-1;/t9-;/m1./s1
InChIKeyMFBYZGOFGWEDCE-SBSPUUFOSA-N
MW431.30 g/mol
LogP1.00
Rot. Bonds5

About (2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium

(2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium (PubChem CID 171815797) has the molecular formula C11H17N2OU- and a molecular weight of 431.30 g/mol. Its IUPAC name is (2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium.

Molecular Properties

Compound Name(2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium
PubChem CID171815797
Molecular FormulaC11H17N2OU-
Molecular Weight431.30 g/mol
Exact Mass431.19
IUPAC Name(2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium
SMILESCNc1[c-]c(CNC[C@@H](C)O)ccc1.[U]
InChIInChI=1S/C11H17N2O.U/c1-9(14)7-13-8-10-4-3-5-11(6-10)12-2;/h3-5,9,12-14H,7-8H2,1-2H3;/q-1;/t9-;/m1./s1
InChIKeyMFBYZGOFGWEDCE-SBSPUUFOSA-N
XLogP1.00
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium?
The IUPAC name of (2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium (CID 171815797) is (2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium.
What is the SMILES notation for (2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium?
The canonical SMILES for (2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium is CNc1[c-]c(CNC[C@@H](C)O)ccc1.[U].
What is the InChIKey of (2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium?
The InChIKey is MFBYZGOFGWEDCE-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H17N2O.U/c1-9(14)7-13-8-10-4-3-5-11(6-10)12-2;/h3-5,9,12-14H,7-8H2,1-2H3;/q-1;/t9-;/m1./s1.
What are the key properties of (2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium?
(2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium has a molecular weight of 431.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium is sourced from PubChem (CID 171815797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).