N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+)

C16H31N3U — CID 177040244

IUPACN-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+)
SMILESC/C=C(C)\N=[C-]\C(CCC)=N\C(C)=N\C.CC.[CH2-]C.[U+2]
InChIInChI=1S/C12H20N3.C2H6.C2H5.U/c1-6-8-12(15-11(4)13-5)9-14-10(3)7-2;2*1-2;/h7H,6,8H2,1-5H3;1-2H3;1H2,2H3;/q-1;;-1;+2/b10-7-,13-11+,15-12+;;;
InChIKeyBBSFMDCXJUIAEH-BVVFINQBSA-N
MW503.47 g/mol
LogP5.01
Rot. Bonds4

About N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+)

N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+) (PubChem CID 177040244) has the molecular formula C16H31N3U and a molecular weight of 503.47 g/mol. Its IUPAC name is N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+).

Molecular Properties

Compound NameN-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+)
PubChem CID177040244
Molecular FormulaC16H31N3U
Molecular Weight503.47 g/mol
Exact Mass503.30
IUPAC NameN-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+)
SMILESC/C=C(C)\N=[C-]\C(CCC)=N\C(C)=N\C.CC.[CH2-]C.[U+2]
InChIInChI=1S/C12H20N3.C2H6.C2H5.U/c1-6-8-12(15-11(4)13-5)9-14-10(3)7-2;2*1-2;/h7H,6,8H2,1-5H3;1-2H3;1H2,2H3;/q-1;;-1;+2/b10-7-,13-11+,15-12+;;;
InChIKeyBBSFMDCXJUIAEH-BVVFINQBSA-N
XLogP5.01
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.47
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+)?
The IUPAC name of N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+) (CID 177040244) is N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+).
What is the SMILES notation for N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+)?
The canonical SMILES for N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+) is C/C=C(C)\N=[C-]\C(CCC)=N\C(C)=N\C.CC.[CH2-]C.[U+2].
What is the InChIKey of N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+)?
The InChIKey is BBSFMDCXJUIAEH-BVVFINQBSA-N. The full InChI is InChI=1S/C12H20N3.C2H6.C2H5.U/c1-6-8-12(15-11(4)13-5)9-14-10(3)7-2;2*1-2;/h7H,6,8H2,1-5H3;1-2H3;1H2,2H3;/q-1;;-1;+2/b10-7-,13-11+,15-12+;;;.
What are the key properties of N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+)?
N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+) has a molecular weight of 503.47 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-but-2-en-2-yl]iminopentan-2-ylidene]-N'-methylethanimidamide;ethane;ethane;uranium(2+) is sourced from PubChem (CID 177040244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).