ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium

C30H50F3N2U- — CID 167493411

IUPACethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium
SMILESCC.CC/C=C(N)\N=C(C)/C(=C(/C)CC)c1[c-]cc(C(F)(F)F)cc1.CCCCCCC(C)CC.[U]
InChIInChI=1S/C18H22F3N2.C10H22.C2H6.U/c1-5-7-16(22)23-13(4)17(12(3)6-2)14-8-10-15(11-9-14)18(19,20)21;1-4-6-7-8-9-10(3)5-2;1-2;/h7-8,10-11H,5-6,22H2,1-4H3;10H,4-9H2,1-3H3;1-2H3;/q-1;;;/b16-7-,17-12+,23-13-;;;
InChIKeyUURDSTLIEWSBME-SNBVTUGNSA-N
MW733.77 g/mol
LogP10.39
Rot. Bonds11

About ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium

ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium (PubChem CID 167493411) has the molecular formula C30H50F3N2U- and a molecular weight of 733.77 g/mol. Its IUPAC name is ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium.

Molecular Properties

Compound Nameethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium
PubChem CID167493411
Molecular FormulaC30H50F3N2U-
Molecular Weight733.77 g/mol
Exact Mass733.44
IUPAC Nameethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium
SMILESCC.CC/C=C(N)\N=C(C)/C(=C(/C)CC)c1[c-]cc(C(F)(F)F)cc1.CCCCCCC(C)CC.[U]
InChIInChI=1S/C18H22F3N2.C10H22.C2H6.U/c1-5-7-16(22)23-13(4)17(12(3)6-2)14-8-10-15(11-9-14)18(19,20)21;1-4-6-7-8-9-10(3)5-2;1-2;/h7-8,10-11H,5-6,22H2,1-4H3;10H,4-9H2,1-3H3;1-2H3;/q-1;;;/b16-7-,17-12+,23-13-;;;
InChIKeyUURDSTLIEWSBME-SNBVTUGNSA-N
XLogP10.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.77
LogP ≤ 510.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium?
The IUPAC name of ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium (CID 167493411) is ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium.
What is the SMILES notation for ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium?
The canonical SMILES for ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium is CC.CC/C=C(N)\N=C(C)/C(=C(/C)CC)c1[c-]cc(C(F)(F)F)cc1.CCCCCCC(C)CC.[U].
What is the InChIKey of ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium?
The InChIKey is UURDSTLIEWSBME-SNBVTUGNSA-N. The full InChI is InChI=1S/C18H22F3N2.C10H22.C2H6.U/c1-5-7-16(22)23-13(4)17(12(3)6-2)14-8-10-15(11-9-14)18(19,20)21;1-4-6-7-8-9-10(3)5-2;1-2;/h7-8,10-11H,5-6,22H2,1-4H3;10H,4-9H2,1-3H3;1-2H3;/q-1;;;/b16-7-,17-12+,23-13-;;;.
What are the key properties of ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium?
ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium has a molecular weight of 733.77 g/mol, XLogP of 10.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylnonane;(Z)-1-[(Z)-[(Z)-4-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]hex-3-en-2-ylidene]amino]but-1-en-1-amine;uranium is sourced from PubChem (CID 167493411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).