ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium

C24H42FN2U- — CID 167493305

IUPACethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium
SMILESCC.CC.CC/C=C\C=C(/C)C(c1[c-]cc(C)cc1F)N(C)CCC(C)N.[U]
InChIInChI=1S/C20H30FN2.2C2H6.U/c1-6-7-8-9-16(3)20(23(5)13-12-17(4)22)18-11-10-15(2)14-19(18)21;2*1-2;/h7-10,14,17,20H,6,12-13,22H2,1-5H3;2*1-2H3;/q-1;;;/b8-7-,16-9+;;;
InChIKeyYODRLLNPBCYXLH-OPXMNBMYSA-N
MW615.64 g/mol
LogP6.61
Rot. Bonds8

About ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium

ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium (PubChem CID 167493305) has the molecular formula C24H42FN2U- and a molecular weight of 615.64 g/mol. Its IUPAC name is ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium.

Molecular Properties

Compound Nameethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium
PubChem CID167493305
Molecular FormulaC24H42FN2U-
Molecular Weight615.64 g/mol
Exact Mass615.38
IUPAC Nameethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium
SMILESCC.CC.CC/C=C\C=C(/C)C(c1[c-]cc(C)cc1F)N(C)CCC(C)N.[U]
InChIInChI=1S/C20H30FN2.2C2H6.U/c1-6-7-8-9-16(3)20(23(5)13-12-17(4)22)18-11-10-15(2)14-19(18)21;2*1-2;/h7-10,14,17,20H,6,12-13,22H2,1-5H3;2*1-2H3;/q-1;;;/b8-7-,16-9+;;;
InChIKeyYODRLLNPBCYXLH-OPXMNBMYSA-N
XLogP6.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.64
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
1-[4-[[Ethyl(methyl)amino]methyl]cyclohexa-1,5-dien-1-yl]-3-fluoropropan-2-amine
CID 129313214
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
CID 129313875
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane
CID 143418465
4-Ethenyl-6-ethyl-5-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
CID 143839456
5-Ethenyl-6-ethyl-4-(1-fluoroethenyl)-1,2,3,6-tetrahydropyridine
CID 143839521
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962807
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-1-methylpiperidin-4-amine
CID 145515573
N-[(2E)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]-1-methylpiperidin-4-amine
CID 145520189
N-[(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dienyl]-1-methylpiperidin-4-amine
CID 164158806

Frequently Asked Questions

What is the IUPAC name of ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium?
The IUPAC name of ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium (CID 167493305) is ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium.
What is the SMILES notation for ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium?
The canonical SMILES for ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium is CC.CC.CC/C=C\C=C(/C)C(c1[c-]cc(C)cc1F)N(C)CCC(C)N.[U].
What is the InChIKey of ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium?
The InChIKey is YODRLLNPBCYXLH-OPXMNBMYSA-N. The full InChI is InChI=1S/C20H30FN2.2C2H6.U/c1-6-7-8-9-16(3)20(23(5)13-12-17(4)22)18-11-10-15(2)14-19(18)21;2*1-2;/h7-10,14,17,20H,6,12-13,22H2,1-5H3;2*1-2H3;/q-1;;;/b8-7-,16-9+;;;.
What are the key properties of ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium?
ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium has a molecular weight of 615.64 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienyl]-1-N-methylbutane-1,3-diamine;uranium is sourced from PubChem (CID 167493305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).